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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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655777 |
6xcu ![]() ![]() |
30761 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 1.774 -0.851 -1.826 3 HB2 MET 1 HB2 MET 1 2.563 1.373 -2.812 4 HB3 MET 1 HB3 MET 1 0.842 1.204 -2.490 5 HG2 MET 1 HG2 MET 1 0.864 2.720 -0.793 6 HG3 MET 1 HG3 MET 1 2.541 2.386 -0.368 7 HE1 MET 1 HE1 MET 1 4.281 4.694 -0.877 8 HE2 MET 1 HE2 MET 1 3.082 5.979 -1.017 9 HE3 MET 1 HE3 MET 1 2.827 4.656 0.121 10 H ILE 2 H ILE 2 3.558 -2.050 -1.514 11 HA ILE 2 HA ILE 2 5.960 -0.710 -0.461 12 HB ILE 2 HB ILE 2 6.818 -2.920 0.110 13 HG12 ILE 2 HG12 ILE 2 4.758 -4.696 0.008 14 HG13 ILE 2 HG13 ILE 2 4.475 -3.778 -1.467 15 HG21 ILE 2 HG21 ILE 2 4.122 -2.132 1.148 16 HG22 ILE 2 HG22 ILE 2 4.960 -3.547 1.784 17 HG23 ILE 2 HG23 ILE 2 5.704 -1.953 1.906 18 HD11 ILE 2 HD11 ILE 2 6.159 -5.919 -1.198 19 HD12 ILE 2 HD12 ILE 2 6.189 -4.738 -2.508 20 HD13 ILE 2 HD13 ILE 2 7.258 -4.542 -1.120 21 H SER 3 H SER 3 7.981 -1.113 -1.465 22 HA SER 3 HA SER 3 7.727 -1.737 -4.323 23 HB2 SER 3 HB2 SER 3 9.781 -0.468 -4.634 24 HB3 SER 3 HB3 SER 3 8.630 0.497 -3.709 25 HG SER 3 HG SER 3 9.879 0.372 -1.993 26 H ASP 4 H ASP 4 9.334 -3.019 -5.367 27 HA ASP 4 HA ASP 4 9.918 -5.429 -4.151 28 HB2 ASP 4 HB2 ASP 4 11.563 -4.207 -6.371 29 HB3 ASP 4 HB3 ASP 4 11.320 -5.919 -6.037 30 H GLU 5 H GLU 5 11.849 -2.491 -4.293 31 HA GLU 5 HA GLU 5 14.257 -3.557 -3.308 32 HB2 GLU 5 HB2 GLU 5 13.067 -0.807 -3.384 33 HB3 GLU 5 HB3 GLU 5 14.556 -1.092 -2.494 34 HG2 GLU 5 HG2 GLU 5 14.182 -1.797 -5.392 35 HG3 GLU 5 HG3 GLU 5 14.860 -0.271 -4.828 36 H GLN 6 H GLN 6 11.617 -1.879 -1.606 37 HA GLN 6 HA GLN 6 12.701 -2.118 0.972 38 HB2 GLN 6 HB2 GLN 6 10.650 -0.747 0.038 39 HB3 GLN 6 HB3 GLN 6 9.742 -2.159 0.562 40 HG2 GLN 6 HG2 GLN 6 11.470 -0.384 2.269 41 HG3 GLN 6 HG3 GLN 6 9.711 -0.503 2.294 42 HE21 GLN 6 HE21 GLN 6 12.568 -1.587 3.649 43 HE22 GLN 6 HE22 GLN 6 11.945 -2.933 4.534 44 H LEU 7 H LEU 7 10.537 -4.228 -0.861 45 HA LEU 7 HA LEU 7 9.978 -6.051 1.207 46 HB2 LEU 7 HB2 LEU 7 8.676 -5.940 -0.847 47 HB3 LEU 7 HB3 LEU 7 10.071 -6.487 -1.775 48 HG LEU 7 HG LEU 7 9.029 -8.242 0.396 49 HD11 LEU 7 HD11 LEU 7 7.616 -7.575 -2.137 50 HD12 LEU 7 HD12 LEU 7 6.963 -7.963 -0.545 51 HD13 LEU 7 HD13 LEU 7 7.607 -9.245 -1.570 52 HD21 LEU 7 HD21 LEU 7 9.582 -9.740 -1.825 53 HD22 LEU 7 HD22 LEU 7 10.706 -9.417 -0.505 54 HD23 LEU 7 HD23 LEU 7 10.745 -8.422 -1.962 55 H ASN 8 H ASN 8 12.430 -6.130 -1.368 56 HA ASN 8 HA ASN 8 13.591 -8.581 -0.693 57 HB2 ASN 8 HB2 ASN 8 14.007 -7.265 -2.795 58 HB3 ASN 8 HB3 ASN 8 15.041 -6.194 -1.853 59 HD21 ASN 8 HD21 ASN 8 16.061 -7.479 -4.002 60 HD22 ASN 8 HD22 ASN 8 17.167 -8.707 -3.497 61 H SER 9 H SER 9 14.525 -5.289 0.287 62 HA SER 9 HA SER 9 16.687 -6.017 1.912 63 HB2 SER 9 HB2 SER 9 15.979 -3.676 1.087 64 HB3 SER 9 HB3 SER 9 14.922 -3.646 2.498 65 HG SER 9 HG SER 9 17.722 -4.109 2.584 66 H LEU 10 H LEU 10 13.250 -5.637 2.651 67 HA LEU 10 HA LEU 10 13.463 -6.001 5.441 68 HB2 LEU 10 HB2 LEU 10 11.492 -5.032 4.416 69 HB3 LEU 10 HB3 LEU 10 11.164 -6.541 3.568 70 HG LEU 10 HG LEU 10 11.251 -6.584 6.543 71 HD11 LEU 10 HD11 LEU 10 9.284 -5.522 6.893 72 HD12 LEU 10 HD12 LEU 10 8.649 -5.931 5.300 73 HD13 LEU 10 HD13 LEU 10 9.804 -4.610 5.476 74 HD21 LEU 10 HD21 LEU 10 9.077 -7.916 5.164 75 HD22 LEU 10 HD22 LEU 10 10.294 -8.575 6.258 76 HD23 LEU 10 HD23 LEU 10 10.655 -8.400 4.540 77 H ALA 11 H ALA 11 13.135 -8.247 2.760 78 HA ALA 11 HA ALA 11 12.590 -10.555 4.314 79 HB1 ALA 11 HB1 ALA 11 13.090 -9.934 1.529 80 HB2 ALA 11 HB2 ALA 11 13.845 -11.453 2.015 81 HB3 ALA 11 HB3 ALA 11 12.112 -11.217 2.243 82 H ILE 12 H ILE 12 15.595 -9.426 2.758 83 HA ILE 12 HA ILE 12 17.262 -11.431 3.776 84 HB ILE 12 HB ILE 12 17.993 -10.017 1.952 85 HG12 ILE 12 HG12 ILE 12 20.265 -9.447 2.767 86 HG13 ILE 12 HG13 ILE 12 19.705 -9.659 4.422 87 HG21 ILE 12 HG21 ILE 12 18.142 -7.757 3.940 88 HG22 ILE 12 HG22 ILE 12 18.538 -7.689 2.223 89 HG23 ILE 12 HG23 ILE 12 16.870 -7.952 2.734 90 HD11 ILE 12 HD11 ILE 12 19.402 -11.896 2.480 91 HD12 ILE 12 HD12 ILE 12 20.977 -11.570 3.205 92 HD13 ILE 12 HD13 ILE 12 19.592 -11.941 4.233 93 H THR 13 H THR 13 16.324 -8.299 5.102 94 HA THR 13 HA THR 13 18.114 -8.280 7.282 95 HB THR 13 HB THR 13 16.434 -6.681 8.316 96 HG1 THR 13 HG1 THR 13 14.519 -6.627 7.437 97 HG21 THR 13 HG21 THR 13 17.670 -6.283 5.614 98 HG22 THR 13 HG22 THR 13 18.171 -5.634 7.176 99 HG23 THR 13 HG23 THR 13 16.739 -4.992 6.372 100 H PHE 14 H PHE 14 14.677 -9.209 7.110 101 HA PHE 14 HA PHE 14 14.419 -10.021 9.776 102 HB2 PHE 14 HB2 PHE 14 12.521 -9.627 8.213 103 HB3 PHE 14 HB3 PHE 14 12.933 -11.124 7.384 104 HD1 PHE 14 HD1 PHE 14 11.668 -12.952 7.917 105 HD2 PHE 14 HD2 PHE 14 12.326 -9.972 10.884 106 HE1 PHE 14 HE1 PHE 14 10.257 -14.212 9.490 107 HE2 PHE 14 HE2 PHE 14 10.917 -11.228 12.462 108 HZ PHE 14 HZ PHE 14 9.881 -13.351 11.767 109 H GLY 15 H GLY 15 15.502 -11.762 6.909 110 HA2 GLY 15 HA2 GLY 15 15.542 -14.346 8.053 111 HA3 GLY 15 HA3 GLY 15 16.463 -13.831 6.648 112 H ILE 16 H ILE 16 18.243 -12.087 7.477 113 HA ILE 16 HA ILE 16 20.210 -13.596 8.749 114 HB ILE 16 HB ILE 16 20.039 -10.589 8.526 115 HG12 ILE 16 HG12 ILE 16 21.593 -12.492 6.776 116 HG13 ILE 16 HG13 ILE 16 19.949 -11.992 6.393 117 HG21 ILE 16 HG21 ILE 16 22.267 -12.437 9.311 118 HG22 ILE 16 HG22 ILE 16 22.584 -10.837 8.642 119 HG23 ILE 16 HG23 ILE 16 21.675 -11.000 10.145 120 HD11 ILE 16 HD11 ILE 16 20.675 -9.668 6.306 121 HD12 ILE 16 HD12 ILE 16 22.322 -10.167 6.695 122 HD13 ILE 16 HD13 ILE 16 21.582 -10.674 5.176 123 H VAL 17 H VAL 17 18.319 -10.874 10.066 124 HA VAL 17 HA VAL 17 19.330 -10.888 12.647 125 HB VAL 17 HB VAL 17 16.503 -10.250 11.790 126 HG11 VAL 17 HG11 VAL 17 16.100 -10.085 13.978 127 HG12 VAL 17 HG12 VAL 17 17.809 -10.246 14.385 128 HG13 VAL 17 HG13 VAL 17 17.148 -8.667 13.959 129 HG21 VAL 17 HG21 VAL 17 17.262 -8.334 10.949 130 HG22 VAL 17 HG22 VAL 17 18.211 -8.001 12.398 131 HG23 VAL 17 HG23 VAL 17 18.891 -8.990 11.107 132 H MET 18 H MET 18 16.420 -12.566 11.447 133 HA MET 18 HA MET 18 15.720 -13.846 13.813 134 HB2 MET 18 HB2 MET 18 15.290 -14.526 10.919 135 HB3 MET 18 HB3 MET 18 14.729 -15.608 12.187 136 HG2 MET 18 HG2 MET 18 13.987 -12.714 12.223 137 HG3 MET 18 HG3 MET 18 13.112 -13.856 11.207 138 HE1 MET 18 HE1 MET 18 12.358 -16.558 13.071 139 HE2 MET 18 HE2 MET 18 10.837 -15.688 13.269 140 HE3 MET 18 HE3 MET 18 11.751 -15.537 11.768 141 H MET 19 H MET 19 17.945 -14.869 11.258 142 HA MET 19 HA MET 19 18.478 -17.445 12.232 143 HB2 MET 19 HB2 MET 19 19.106 -16.492 9.970 144 HB3 MET 19 HB3 MET 19 20.451 -15.691 10.771 145 HG2 MET 19 HG2 MET 19 21.248 -17.918 11.527 146 HG3 MET 19 HG3 MET 19 19.973 -18.651 10.556 147 HE1 MET 19 HE1 MET 19 22.124 -19.570 7.730 148 HE2 MET 19 HE2 MET 19 21.359 -20.099 9.229 149 HE3 MET 19 HE3 MET 19 20.396 -19.313 7.977 150 H THR 20 H THR 20 20.017 -14.331 12.907 151 HA THR 20 HA THR 20 22.116 -15.324 14.505 152 HB THR 20 HB THR 20 21.490 -12.778 15.502 153 HG1 THR 20 HG1 THR 20 21.307 -12.650 12.686 154 HG21 THR 20 HG21 THR 20 23.715 -13.744 14.878 155 HG22 THR 20 HG22 THR 20 23.463 -12.088 14.326 156 HG23 THR 20 HG23 THR 20 23.317 -13.429 13.190 157 H LEU 21 H LEU 21 18.917 -14.031 15.369 158 HA LEU 21 HA LEU 21 19.164 -14.225 18.141 159 HB2 LEU 21 HB2 LEU 21 16.722 -14.492 16.396 160 HB3 LEU 21 HB3 LEU 21 16.678 -14.317 18.149 161 HG LEU 21 HG LEU 21 18.039 -12.236 16.490 162 HD11 LEU 21 HD11 LEU 21 15.075 -12.588 16.846 163 HD12 LEU 21 HD12 LEU 21 15.979 -12.367 15.349 164 HD13 LEU 21 HD13 LEU 21 15.817 -11.029 16.486 165 HD21 LEU 21 HD21 LEU 21 16.363 -11.874 18.949 166 HD22 LEU 21 HD22 LEU 21 17.652 -10.848 18.320 167 HD23 LEU 21 HD23 LEU 21 18.042 -12.403 19.058 168 H ILE 22 H ILE 22 17.709 -16.551 15.866 169 HA ILE 22 HA ILE 22 17.190 -18.542 17.793 170 HB ILE 22 HB ILE 22 17.647 -18.873 14.825 171 HG12 ILE 22 HG12 ILE 22 15.819 -17.305 15.396 172 HG13 ILE 22 HG13 ILE 22 15.220 -18.773 14.631 173 HG21 ILE 22 HG21 ILE 22 16.061 -20.888 15.339 174 HG22 ILE 22 HG22 ILE 22 17.798 -21.029 15.604 175 HG23 ILE 22 HG23 ILE 22 16.720 -20.729 16.967 176 HD11 ILE 22 HD11 ILE 22 15.214 -19.213 17.419 177 HD12 ILE 22 HD12 ILE 22 14.486 -17.634 17.122 178 HD13 ILE 22 HD13 ILE 22 13.839 -19.068 16.325 179 H ASP 23 H ASP 23 19.976 -17.901 15.730 180 HA ASP 23 HA ASP 23 21.398 -20.263 16.141 181 HB2 ASP 23 HB2 ASP 23 22.175 -18.767 14.465 182 HB3 ASP 23 HB3 ASP 23 22.316 -17.438 15.613 183 H ILE 24 H ILE 24 21.606 -17.198 17.945 184 HA ILE 24 HA ILE 24 23.452 -18.150 19.864 185 HB ILE 24 HB ILE 24 21.479 -15.875 20.106 186 HG12 ILE 24 HG12 ILE 24 23.033 -15.662 18.192 187 HG13 ILE 24 HG13 ILE 24 23.331 -14.444 19.428 188 HG21 ILE 24 HG21 ILE 24 23.332 -17.027 21.982 189 HG22 ILE 24 HG22 ILE 24 23.765 -15.356 21.624 190 HG23 ILE 24 HG23 ILE 24 22.150 -15.740 22.220 191 HD11 ILE 24 HD11 ILE 24 25.145 -16.285 18.294 192 HD12 ILE 24 HD12 ILE 24 25.443 -15.072 19.539 193 HD13 ILE 24 HD13 ILE 24 24.951 -16.702 19.997 194 H TYR 25 H TYR 25 19.941 -17.566 20.123 195 HA TYR 25 HA TYR 25 19.546 -18.511 22.685 196 HB2 TYR 25 HB2 TYR 25 17.832 -17.381 21.262 197 HB3 TYR 25 HB3 TYR 25 17.638 -18.886 20.369 198 HD1 TYR 25 HD1 TYR 25 16.841 -17.081 23.416 199 HD2 TYR 25 HD2 TYR 25 16.658 -20.868 21.484 200 HE1 TYR 25 HE1 TYR 25 15.171 -17.831 25.058 201 HE2 TYR 25 HE2 TYR 25 14.985 -21.627 23.120 202 HH TYR 25 HH TYR 25 14.332 -19.961 25.989 203 H HIS 26 H HIS 26 19.850 -20.312 19.681 204 HA HIS 26 HA HIS 26 19.080 -22.831 20.759 205 HB2 HIS 26 HB2 HIS 26 18.932 -22.511 18.386 206 HB3 HIS 26 HB3 HIS 26 20.636 -22.078 18.281 207 HD1 HIS 26 HD1 HIS 26 21.242 -23.955 16.665 208 HD2 HIS 26 HD2 HIS 26 19.517 -25.305 20.195 209 HE1 HIS 26 HE1 HIS 26 21.584 -26.447 16.671 210 H ALA 27 H ALA 27 22.260 -21.447 19.936 211 HA ALA 27 HA ALA 27 23.837 -23.559 20.825 212 HB1 ALA 27 HB1 ALA 27 25.666 -21.970 20.923 213 HB2 ALA 27 HB2 ALA 27 24.678 -21.673 19.492 214 HB3 ALA 27 HB3 ALA 27 24.526 -20.624 20.901 215 H VAL 28 H VAL 28 22.671 -20.714 22.603 216 HA VAL 28 HA VAL 28 23.965 -21.325 25.039 217 HB VAL 28 HB VAL 28 21.448 -19.712 24.594 218 HG11 VAL 28 HG11 VAL 28 22.380 -18.598 26.754 219 HG12 VAL 28 HG12 VAL 28 21.452 -20.094 26.873 220 HG13 VAL 28 HG13 VAL 28 23.213 -20.137 26.968 221 HG21 VAL 28 HG21 VAL 28 23.827 -18.194 25.162 222 HG22 VAL 28 HG22 VAL 28 24.064 -19.209 23.739 223 HG23 VAL 28 HG23 VAL 28 22.719 -18.070 23.796 224 H ASP 29 H ASP 29 20.615 -21.864 23.960 225 HA ASP 29 HA ASP 29 19.681 -23.123 26.268 226 HB2 ASP 29 HB2 ASP 29 18.295 -22.314 24.323 227 HB3 ASP 29 HB3 ASP 29 18.795 -23.760 23.451 228 H SER 30 H SER 30 21.382 -24.425 23.471 229 HA SER 30 HA SER 30 21.097 -27.158 24.234 230 HB2 SER 30 HB2 SER 30 21.506 -26.819 21.940 231 HB3 SER 30 HB3 SER 30 22.843 -25.711 22.251 232 HG SER 30 HG SER 30 22.807 -28.511 22.718 233 H THR 31 H THR 31 23.537 -24.678 24.752 234 HA THR 31 HA THR 31 25.499 -26.402 25.875 235 HB THR 31 HB THR 31 25.161 -23.420 26.250 236 HG1 THR 31 HG1 THR 31 26.885 -24.801 24.454 237 HG21 THR 31 HG21 THR 31 27.647 -23.544 26.679 238 HG22 THR 31 HG22 THR 31 27.456 -25.293 26.811 239 HG23 THR 31 HG23 THR 31 26.625 -24.227 27.943 240 H MET 32 H MET 32 22.836 -24.528 27.204 241 HA MET 32 HA MET 32 23.590 -25.077 29.938 242 HB2 MET 32 HB2 MET 32 22.296 -23.017 28.973 243 HB3 MET 32 HB3 MET 32 20.889 -24.060 29.130 244 HG2 MET 32 HG2 MET 32 22.690 -23.772 31.472 245 HG3 MET 32 HG3 MET 32 21.635 -22.424 31.054 246 HE1 MET 32 HE1 MET 32 18.858 -22.701 30.967 247 HE2 MET 32 HE2 MET 32 18.410 -23.264 32.577 248 HE3 MET 32 HE3 MET 32 19.728 -22.108 32.382 249 H SER 33 H SER 33 21.216 -26.244 27.605 250 HA SER 33 HA SER 33 20.683 -28.513 29.399 251 HB2 SER 33 HB2 SER 33 18.736 -27.113 29.577 252 HB3 SER 33 HB3 SER 33 18.652 -26.916 27.827 253 HG SER 33 HG SER 33 17.556 -28.819 29.335 254 HA PRO 34 HA PRO 34 22.009 -29.851 25.130 255 HB2 PRO 34 HB2 PRO 34 23.931 -31.564 25.993 256 HB3 PRO 34 HB3 PRO 34 24.235 -29.847 25.702 257 HG2 PRO 34 HG2 PRO 34 23.709 -31.266 28.285 258 HG3 PRO 34 HG3 PRO 34 24.903 -30.006 27.923 259 HD2 PRO 34 HD2 PRO 34 22.561 -29.478 29.174 260 HD3 PRO 34 HD3 PRO 34 23.352 -28.310 28.096 261 H LYS 35 H LYS 35 22.405 -32.297 24.510 262 HA LYS 35 HA LYS 35 21.012 -34.228 26.112 263 HB2 LYS 35 HB2 LYS 35 19.280 -34.688 24.330 264 HB3 LYS 35 HB3 LYS 35 19.042 -33.210 25.253 265 HG2 LYS 35 HG2 LYS 35 20.555 -33.032 22.706 266 HG3 LYS 35 HG3 LYS 35 18.807 -33.270 22.627 267 HD2 LYS 35 HD2 LYS 35 18.710 -31.309 24.316 268 HD3 LYS 35 HD3 LYS 35 20.357 -30.976 23.775 269 HE2 LYS 35 HE2 LYS 35 17.906 -31.140 22.023 270 HE3 LYS 35 HE3 LYS 35 18.730 -29.662 22.516 271 HZ1 LYS 35 HZ1 LYS 35 20.766 -30.772 21.423 272 HZ2 LYS 35 HZ2 LYS 35 19.595 -30.057 20.434 273 HZ3 LYS 35 HZ3 LYS 35 19.626 -31.737 20.629 274 H ASN 36 H ASN 36 21.055 -36.370 25.171 275 HA ASN 36 HA ASN 36 23.324 -36.679 23.350 276 HB2 ASN 36 HB2 ASN 36 23.346 -39.025 24.101 277 HB3 ASN 36 HB3 ASN 36 23.435 -37.910 25.461 278 HD21 ASN 36 HD21 ASN 36 22.128 -40.701 24.521 279 HD22 ASN 36 HD22 ASN 36 20.677 -40.705 25.458 280 H ARG 37 H ARG 37 21.300 -35.781 21.913 281 HA ARG 37 HA ARG 37 20.010 -38.131 20.702 282 HB2 ARG 37 HB2 ARG 37 19.289 -35.199 20.546 283 HB3 ARG 37 HB3 ARG 37 18.466 -36.475 19.658 284 HG2 ARG 37 HG2 ARG 37 17.754 -37.501 21.735 285 HG3 ARG 37 HG3 ARG 37 18.637 -36.283 22.658 286 HD2 ARG 37 HD2 ARG 37 16.508 -35.416 22.701 287 HD3 ARG 37 HD3 ARG 37 17.177 -34.608 21.284 288 HE ARG 37 HE ARG 37 15.922 -37.026 20.532 289 HH11 ARG 37 HH11 ARG 37 15.205 -33.787 21.588 290 HH12 ARG 37 HH12 ARG 37 13.668 -33.728 20.790 291 HH21 ARG 37 HH21 ARG 37 13.901 -36.960 19.477 292 HH22 ARG 37 HH22 ARG 37 12.927 -35.533 19.591 293 H LEU 38 H LEU 38 21.431 -38.878 19.216 294 HA LEU 38 HA LEU 38 21.805 -37.371 16.820 295 HB2 LEU 38 HB2 LEU 38 23.622 -36.638 18.551 296 HB3 LEU 38 HB3 LEU 38 24.375 -38.170 18.113 297 HG LEU 38 HG LEU 38 24.082 -37.221 15.667 298 HD11 LEU 38 HD11 LEU 38 24.518 -34.763 15.690 299 HD12 LEU 38 HD12 LEU 38 24.090 -34.759 17.401 300 HD13 LEU 38 HD13 LEU 38 22.891 -35.223 16.193 301 HD21 LEU 38 HD21 LEU 38 26.217 -36.388 17.626 302 HD22 LEU 38 HD22 LEU 38 26.351 -36.229 15.874 303 HD23 LEU 38 HD23 LEU 38 26.206 -37.828 16.607 304 H GLU 39 H GLU 39 21.828 -38.750 15.164 305 HA GLU 39 HA GLU 39 23.161 -41.293 15.304 306 HB2 GLU 39 HB2 GLU 39 20.997 -41.758 16.443 307 HB3 GLU 39 HB3 GLU 39 20.157 -41.268 14.979 308 HG2 GLU 39 HG2 GLU 39 20.882 -43.126 13.788 309 HG3 GLU 39 HG3 GLU 39 22.197 -43.454 14.916 Start of MODEL 2 1 H1 MET 1 H MET 1 0.561 3.560 -3.474 2 HA MET 1 HA MET 1 2.955 4.104 -4.348 3 HB2 MET 1 HB2 MET 1 3.291 5.811 -2.618 4 HB3 MET 1 HB3 MET 1 1.619 5.771 -3.164 5 HG2 MET 1 HG2 MET 1 2.351 4.166 -0.778 6 HG3 MET 1 HG3 MET 1 2.253 5.917 -0.611 7 HE1 MET 1 HE1 MET 1 -1.056 3.912 0.745 8 HE2 MET 1 HE2 MET 1 0.212 2.868 0.103 9 HE3 MET 1 HE3 MET 1 0.631 4.216 1.162 10 H ILE 2 H ILE 2 3.133 1.418 -3.414 11 HA ILE 2 HA ILE 2 5.039 1.405 -1.232 12 HB ILE 2 HB ILE 2 4.243 -0.914 -2.990 13 HG12 ILE 2 HG12 ILE 2 2.234 0.042 -2.003 14 HG13 ILE 2 HG13 ILE 2 2.622 -1.478 -1.204 15 HG21 ILE 2 HG21 ILE 2 4.924 -2.249 -1.026 16 HG22 ILE 2 HG22 ILE 2 6.251 -1.315 -1.715 17 HG23 ILE 2 HG23 ILE 2 5.461 -0.766 -0.237 18 HD11 ILE 2 HD11 ILE 2 2.540 -0.436 0.739 19 HD12 ILE 2 HD12 ILE 2 3.908 0.564 0.247 20 HD13 ILE 2 HD13 ILE 2 2.260 1.105 -0.071 21 H SER 3 H SER 3 7.209 1.057 -1.376 22 HA SER 3 HA SER 3 8.363 1.228 -4.071 23 HB2 SER 3 HB2 SER 3 8.991 3.036 -2.531 24 HB3 SER 3 HB3 SER 3 9.613 1.850 -1.383 25 HG SER 3 HG SER 3 10.826 2.932 -3.525 26 H ASP 4 H ASP 4 9.790 -0.261 -4.825 27 HA ASP 4 HA ASP 4 9.772 -2.849 -3.649 28 HB2 ASP 4 HB2 ASP 4 11.115 -3.533 -5.516 29 HB3 ASP 4 HB3 ASP 4 9.931 -2.372 -6.111 30 H GLU 5 H GLU 5 12.095 -0.211 -3.730 31 HA GLU 5 HA GLU 5 14.354 -1.544 -2.792 32 HB2 GLU 5 HB2 GLU 5 13.431 1.303 -2.418 33 HB3 GLU 5 HB3 GLU 5 14.995 0.730 -1.855 34 HG2 GLU 5 HG2 GLU 5 15.423 -0.007 -4.241 35 HG3 GLU 5 HG3 GLU 5 13.999 0.936 -4.677 36 H GLN 6 H GLN 6 11.815 0.130 -0.947 37 HA GLN 6 HA GLN 6 12.866 -0.392 1.603 38 HB2 GLN 6 HB2 GLN 6 10.151 0.315 0.561 39 HB3 GLN 6 HB3 GLN 6 10.332 -0.154 2.246 40 HG2 GLN 6 HG2 GLN 6 10.394 2.304 1.810 41 HG3 GLN 6 HG3 GLN 6 11.779 1.663 2.693 42 HE21 GLN 6 HE21 GLN 6 10.729 3.388 -0.024 43 HE22 GLN 6 HE22 GLN 6 12.260 3.570 -0.803 44 H LEU 7 H LEU 7 10.390 -2.130 -0.268 45 HA LEU 7 HA LEU 7 9.848 -4.130 1.602 46 HB2 LEU 7 HB2 LEU 7 9.444 -3.737 -1.279 47 HB3 LEU 7 HB3 LEU 7 9.503 -5.421 -0.765 48 HG LEU 7 HG LEU 7 7.208 -4.523 -0.903 49 HD11 LEU 7 HD11 LEU 7 8.430 -5.784 1.415 50 HD12 LEU 7 HD12 LEU 7 6.951 -6.195 0.547 51 HD13 LEU 7 HD13 LEU 7 6.922 -4.953 1.799 52 HD21 LEU 7 HD21 LEU 7 7.683 -2.213 -0.281 53 HD22 LEU 7 HD22 LEU 7 8.104 -2.730 1.352 54 HD23 LEU 7 HD23 LEU 7 6.449 -2.910 0.769 55 H ASN 8 H ASN 8 12.222 -4.060 -1.037 56 HA ASN 8 HA ASN 8 13.215 -6.653 -0.727 57 HB2 ASN 8 HB2 ASN 8 13.746 -5.296 -2.679 58 HB3 ASN 8 HB3 ASN 8 14.638 -4.157 -1.675 59 HD21 ASN 8 HD21 ASN 8 16.619 -4.387 -2.549 60 HD22 ASN 8 HD22 ASN 8 17.526 -5.858 -2.529 61 H SER 9 H SER 9 14.391 -3.598 0.668 62 HA SER 9 HA SER 9 16.531 -4.659 2.115 63 HB2 SER 9 HB2 SER 9 16.429 -2.296 1.867 64 HB3 SER 9 HB3 SER 9 14.812 -2.219 2.567 65 HG SER 9 HG SER 9 17.281 -2.673 3.851 66 H LEU 10 H LEU 10 13.142 -4.203 3.035 67 HA LEU 10 HA LEU 10 13.414 -5.038 5.716 68 HB2 LEU 10 HB2 LEU 10 11.190 -4.619 3.816 69 HB3 LEU 10 HB3 LEU 10 10.861 -5.677 5.187 70 HG LEU 10 HG LEU 10 10.132 -3.415 5.661 71 HD11 LEU 10 HD11 LEU 10 12.384 -3.294 7.440 72 HD12 LEU 10 HD12 LEU 10 11.832 -4.959 7.256 73 HD13 LEU 10 HD13 LEU 10 10.704 -3.709 7.783 74 HD21 LEU 10 HD21 LEU 10 12.000 -1.677 5.959 75 HD22 LEU 10 HD22 LEU 10 11.434 -2.019 4.324 76 HD23 LEU 10 HD23 LEU 10 12.947 -2.721 4.899 77 H ALA 11 H ALA 11 12.846 -6.784 2.721 78 HA ALA 11 HA ALA 11 12.171 -9.275 3.877 79 HB1 ALA 11 HB1 ALA 11 13.514 -9.584 1.353 80 HB2 ALA 11 HB2 ALA 11 11.816 -9.835 1.758 81 HB3 ALA 11 HB3 ALA 11 12.383 -8.231 1.293 82 H ILE 12 H ILE 12 15.245 -8.115 2.486 83 HA ILE 12 HA ILE 12 16.762 -10.374 3.162 84 HB ILE 12 HB ILE 12 17.581 -8.771 1.542 85 HG12 ILE 12 HG12 ILE 12 19.897 -8.504 2.373 86 HG13 ILE 12 HG13 ILE 12 19.344 -8.889 4.000 87 HG21 ILE 12 HG21 ILE 12 16.631 -6.760 2.619 88 HG22 ILE 12 HG22 ILE 12 17.906 -6.840 3.833 89 HG23 ILE 12 HG23 ILE 12 18.316 -6.553 2.142 90 HD11 ILE 12 HD11 ILE 12 20.444 -10.718 2.525 91 HD12 ILE 12 HD12 ILE 12 19.034 -11.111 3.509 92 HD13 ILE 12 HD13 ILE 12 18.848 -10.814 1.781 93 H THR 13 H THR 13 16.059 -7.414 4.942 94 HA THR 13 HA THR 13 17.872 -7.805 7.060 95 HB THR 13 HB THR 13 15.231 -6.332 7.058 96 HG1 THR 13 HG1 THR 13 17.899 -5.615 6.443 97 HG21 THR 13 HG21 THR 13 15.551 -6.305 9.288 98 HG22 THR 13 HG22 THR 13 16.795 -5.109 8.923 99 HG23 THR 13 HG23 THR 13 17.238 -6.801 9.150 100 H PHE 14 H PHE 14 14.392 -8.542 6.841 101 HA PHE 14 HA PHE 14 14.173 -9.748 9.367 102 HB2 PHE 14 HB2 PHE 14 12.323 -8.979 7.716 103 HB3 PHE 14 HB3 PHE 14 12.488 -10.590 7.027 104 HD1 PHE 14 HD1 PHE 14 11.486 -12.451 8.045 105 HD2 PHE 14 HD2 PHE 14 11.700 -8.750 10.136 106 HE1 PHE 14 HE1 PHE 14 9.976 -13.343 9.770 107 HE2 PHE 14 HE2 PHE 14 10.191 -9.636 11.866 108 HZ PHE 14 HZ PHE 14 9.326 -11.935 11.683 109 H GLY 15 H GLY 15 15.076 -11.035 6.221 110 HA2 GLY 15 HA2 GLY 15 14.951 -13.777 6.885 111 HA3 GLY 15 HA3 GLY 15 15.903 -13.079 5.582 112 H ILE 16 H ILE 16 17.781 -11.612 6.723 113 HA ILE 16 HA ILE 16 19.631 -13.480 7.697 114 HB ILE 16 HB ILE 16 19.712 -10.467 7.893 115 HG12 ILE 16 HG12 ILE 16 19.535 -11.360 5.588 116 HG13 ILE 16 HG13 ILE 16 21.080 -10.571 5.884 117 HG21 ILE 16 HG21 ILE 16 21.704 -12.591 8.543 118 HG22 ILE 16 HG22 ILE 16 22.260 -11.042 7.910 119 HG23 ILE 16 HG23 ILE 16 21.328 -11.100 9.405 120 HD11 ILE 16 HD11 ILE 16 21.296 -12.646 4.595 121 HD12 ILE 16 HD12 ILE 16 22.162 -12.713 6.130 122 HD13 ILE 16 HD13 ILE 16 20.616 -13.543 5.952 123 H VAL 17 H VAL 17 17.986 -10.824 9.417 124 HA VAL 17 HA VAL 17 18.991 -11.281 11.953 125 HB VAL 17 HB VAL 17 16.220 -10.324 11.222 126 HG11 VAL 17 HG11 VAL 17 16.460 -9.167 13.499 127 HG12 VAL 17 HG12 VAL 17 16.081 -10.891 13.485 128 HG13 VAL 17 HG13 VAL 17 17.727 -10.352 13.816 129 HG21 VAL 17 HG21 VAL 17 18.592 -9.151 10.591 130 HG22 VAL 17 HG22 VAL 17 17.075 -8.283 10.830 131 HG23 VAL 17 HG23 VAL 17 18.237 -8.408 12.150 132 H MET 18 H MET 18 15.973 -12.573 10.561 133 HA MET 18 HA MET 18 15.161 -14.108 12.723 134 HB2 MET 18 HB2 MET 18 13.799 -13.671 10.698 135 HB3 MET 18 HB3 MET 18 14.818 -14.785 9.796 136 HG2 MET 18 HG2 MET 18 12.775 -15.879 10.433 137 HG3 MET 18 HG3 MET 18 14.132 -16.602 11.294 138 HE1 MET 18 HE1 MET 18 10.345 -15.635 13.123 139 HE2 MET 18 HE2 MET 18 10.700 -14.565 11.766 140 HE3 MET 18 HE3 MET 18 10.837 -16.313 11.570 141 H MET 19 H MET 19 17.153 -15.115 9.945 142 HA MET 19 HA MET 19 17.581 -17.752 10.683 143 HB2 MET 19 HB2 MET 19 18.234 -16.820 8.505 144 HB3 MET 19 HB3 MET 19 19.509 -15.891 9.283 145 HG2 MET 19 HG2 MET 19 20.746 -17.823 9.798 146 HG3 MET 19 HG3 MET 19 19.385 -18.883 9.438 147 HE1 MET 19 HE1 MET 19 19.517 -20.275 7.917 148 HE2 MET 19 HE2 MET 19 18.900 -19.590 6.414 149 HE3 MET 19 HE3 MET 19 20.510 -20.309 6.459 150 H THR 20 H THR 20 19.398 -14.853 11.602 151 HA THR 20 HA THR 20 21.373 -16.221 13.109 152 HB THR 20 HB THR 20 20.590 -13.403 13.751 153 HG1 THR 20 HG1 THR 20 21.619 -12.694 11.882 154 HG21 THR 20 HG21 THR 20 22.823 -15.126 14.222 155 HG22 THR 20 HG22 THR 20 22.551 -13.484 14.805 156 HG23 THR 20 HG23 THR 20 23.352 -13.749 13.256 157 H LEU 21 H LEU 21 18.258 -14.788 13.922 158 HA LEU 21 HA LEU 21 18.444 -14.893 16.708 159 HB2 LEU 21 HB2 LEU 21 16.114 -15.056 14.822 160 HB3 LEU 21 HB3 LEU 21 15.899 -15.110 16.570 161 HG LEU 21 HG LEU 21 17.235 -12.828 15.124 162 HD11 LEU 21 HD11 LEU 21 15.213 -11.650 15.123 163 HD12 LEU 21 HD12 LEU 21 14.428 -12.818 16.185 164 HD13 LEU 21 HD13 LEU 21 14.795 -13.252 14.516 165 HD21 LEU 21 HD21 LEU 21 16.235 -13.233 17.934 166 HD22 LEU 21 HD22 LEU 21 16.644 -11.653 17.265 167 HD23 LEU 21 HD23 LEU 21 17.885 -12.899 17.407 168 H ILE 22 H ILE 22 16.907 -17.250 14.513 169 HA ILE 22 HA ILE 22 16.455 -19.186 16.526 170 HB ILE 22 HB ILE 22 16.643 -19.536 13.532 171 HG12 ILE 22 HG12 ILE 22 14.008 -19.785 14.675 172 HG13 ILE 22 HG13 ILE 22 14.719 -18.242 15.133 173 HG21 ILE 22 HG21 ILE 22 16.852 -21.703 14.218 174 HG22 ILE 22 HG22 ILE 22 16.014 -21.417 15.743 175 HG23 ILE 22 HG23 ILE 22 15.095 -21.556 14.244 176 HD11 ILE 22 HD11 ILE 22 14.606 -17.427 13.045 177 HD12 ILE 22 HD12 ILE 22 14.997 -18.978 12.301 178 HD13 ILE 22 HD13 ILE 22 13.355 -18.656 12.859 179 H ASP 23 H ASP 23 19.087 -18.657 14.242 180 HA ASP 23 HA ASP 23 20.467 -21.063 14.630 181 HB2 ASP 23 HB2 ASP 23 21.073 -19.637 12.798 182 HB3 ASP 23 HB3 ASP 23 21.457 -18.307 13.888 183 H ILE 24 H ILE 24 20.935 -17.907 16.214 184 HA ILE 24 HA ILE 24 22.947 -18.770 17.987 185 HB ILE 24 HB ILE 24 20.991 -16.491 18.310 186 HG12 ILE 24 HG12 ILE 24 23.861 -16.240 17.468 187 HG13 ILE 24 HG13 ILE 24 22.622 -16.623 16.278 188 HG21 ILE 24 HG21 ILE 24 21.805 -16.462 20.401 189 HG22 ILE 24 HG22 ILE 24 23.173 -17.494 19.989 190 HG23 ILE 24 HG23 ILE 24 23.241 -15.764 19.651 191 HD11 ILE 24 HD11 ILE 24 22.103 -14.320 18.052 192 HD12 ILE 24 HD12 ILE 24 23.368 -14.137 16.836 193 HD13 ILE 24 HD13 ILE 24 21.726 -14.551 16.345 194 H TYR 25 H TYR 25 19.443 -18.365 18.451 195 HA TYR 25 HA TYR 25 19.343 -19.161 21.131 196 HB2 TYR 25 HB2 TYR 25 17.490 -18.059 19.854 197 HB3 TYR 25 HB3 TYR 25 17.189 -19.598 19.054 198 HD1 TYR 25 HD1 TYR 25 17.035 -17.803 22.266 199 HD2 TYR 25 HD2 TYR 25 16.049 -21.379 20.182 200 HE1 TYR 25 HE1 TYR 25 15.558 -18.468 24.118 201 HE2 TYR 25 HE2 TYR 25 14.569 -22.053 22.027 202 HH TYR 25 HH TYR 25 13.247 -20.755 23.895 203 H HIS 26 H HIS 26 19.339 -21.030 18.157 204 HA HIS 26 HA HIS 26 18.649 -23.520 19.326 205 HB2 HIS 26 HB2 HIS 26 19.754 -22.615 16.716 206 HB3 HIS 26 HB3 HIS 26 19.975 -24.309 17.142 207 HD1 HIS 26 HD1 HIS 26 16.850 -22.832 18.392 208 HD2 HIS 26 HD2 HIS 26 18.138 -24.830 14.984 209 HE1 HIS 26 HE1 HIS 26 14.755 -23.566 17.210 210 H ALA 27 H ALA 27 21.788 -22.184 18.295 211 HA ALA 27 HA ALA 27 23.397 -24.290 19.134 212 HB1 ALA 27 HB1 ALA 27 25.065 -22.224 19.502 213 HB2 ALA 27 HB2 ALA 27 24.641 -22.854 17.909 214 HB3 ALA 27 HB3 ALA 27 23.818 -21.428 18.541 215 H VAL 28 H VAL 28 22.383 -21.392 20.924 216 HA VAL 28 HA VAL 28 23.795 -21.985 23.295 217 HB VAL 28 HB VAL 28 21.285 -20.339 22.950 218 HG11 VAL 28 HG11 VAL 28 22.573 -19.259 25.062 219 HG12 VAL 28 HG12 VAL 28 21.290 -20.461 25.202 220 HG13 VAL 28 HG13 VAL 28 22.980 -20.961 25.276 221 HG21 VAL 28 HG21 VAL 28 24.099 -19.315 23.187 222 HG22 VAL 28 HG22 VAL 28 23.375 -19.704 21.627 223 HG23 VAL 28 HG23 VAL 28 22.656 -18.457 22.646 224 H ASP 29 H ASP 29 20.405 -22.542 22.374 225 HA ASP 29 HA ASP 29 19.569 -23.730 24.764 226 HB2 ASP 29 HB2 ASP 29 18.022 -22.973 23.000 227 HB3 ASP 29 HB3 ASP 29 18.575 -24.282 21.960 228 H SER 30 H SER 30 21.016 -25.149 21.864 229 HA SER 30 HA SER 30 20.786 -27.845 22.729 230 HB2 SER 30 HB2 SER 30 21.185 -26.947 20.341 231 HB3 SER 30 HB3 SER 30 22.885 -26.862 20.804 232 HG SER 30 HG SER 30 23.012 -28.944 20.595 233 H THR 31 H THR 31 23.277 -25.381 23.044 234 HA THR 31 HA THR 31 25.301 -27.083 24.068 235 HB THR 31 HB THR 31 24.946 -24.101 24.424 236 HG1 THR 31 HG1 THR 31 26.442 -25.643 22.548 237 HG21 THR 31 HG21 THR 31 26.449 -24.983 26.111 238 HG22 THR 31 HG22 THR 31 27.376 -24.108 24.891 239 HG23 THR 31 HG23 THR 31 27.349 -25.871 24.882 240 H MET 32 H MET 32 22.702 -25.237 25.553 241 HA MET 32 HA MET 32 23.619 -25.773 28.237 242 HB2 MET 32 HB2 MET 32 22.387 -23.691 27.596 243 HB3 MET 32 HB3 MET 32 20.951 -24.673 27.341 244 HG2 MET 32 HG2 MET 32 20.666 -25.084 29.587 245 HG3 MET 32 HG3 MET 32 22.360 -24.779 29.964 246 HE1 MET 32 HE1 MET 32 19.135 -23.853 30.603 247 HE2 MET 32 HE2 MET 32 19.020 -22.101 30.774 248 HE3 MET 32 HE3 MET 32 18.820 -22.847 29.188 249 H SER 33 H SER 33 21.130 -26.981 26.050 250 HA SER 33 HA SER 33 20.739 -29.255 27.875 251 HB2 SER 33 HB2 SER 33 18.821 -27.607 27.956 252 HB3 SER 33 HB3 SER 33 18.509 -27.999 26.265 253 HG SER 33 HG SER 33 18.450 -29.782 28.472 254 HA PRO 34 HA PRO 34 21.854 -30.587 23.544 255 HB2 PRO 34 HB2 PRO 34 23.853 -32.259 24.305 256 HB3 PRO 34 HB3 PRO 34 24.107 -30.538 23.991 257 HG2 PRO 34 HG2 PRO 34 23.753 -31.954 26.604 258 HG3 PRO 34 HG3 PRO 34 24.901 -30.673 26.172 259 HD2 PRO 34 HD2 PRO 34 22.622 -30.183 27.550 260 HD3 PRO 34 HD3 PRO 34 23.329 -29.006 26.425 261 H LYS 35 H LYS 35 22.433 -33.110 23.053 262 HA LYS 35 HA LYS 35 20.103 -34.547 24.038 263 HB2 LYS 35 HB2 LYS 35 22.106 -35.237 21.881 264 HB3 LYS 35 HB3 LYS 35 20.688 -36.198 22.276 265 HG2 LYS 35 HG2 LYS 35 19.394 -33.990 21.816 266 HG3 LYS 35 HG3 LYS 35 20.859 -33.536 20.942 267 HD2 LYS 35 HD2 LYS 35 20.646 -35.724 19.698 268 HD3 LYS 35 HD3 LYS 35 19.047 -35.887 20.427 269 HE2 LYS 35 HE2 LYS 35 18.670 -34.922 18.317 270 HE3 LYS 35 HE3 LYS 35 18.544 -33.589 19.464 271 HZ1 LYS 35 HZ1 LYS 35 21.078 -34.193 18.067 272 HZ2 LYS 35 HZ2 LYS 35 20.614 -32.759 18.834 273 HZ3 LYS 35 HZ3 LYS 35 19.897 -33.203 17.368 274 H ASN 36 H ASN 36 20.145 -36.382 25.250 275 HA ASN 36 HA ASN 36 22.790 -37.332 26.137 276 HB2 ASN 36 HB2 ASN 36 20.321 -36.703 27.712 277 HB3 ASN 36 HB3 ASN 36 21.417 -37.956 28.288 278 HD21 ASN 36 HD21 ASN 36 20.717 -35.286 29.355 279 HD22 ASN 36 HD22 ASN 36 22.227 -34.470 29.560 280 H ARG 37 H ARG 37 23.009 -39.171 24.979 281 HA ARG 37 HA ARG 37 20.986 -41.254 25.414 282 HB2 ARG 37 HB2 ARG 37 22.349 -40.703 22.772 283 HB3 ARG 37 HB3 ARG 37 21.217 -42.008 23.099 284 HG2 ARG 37 HG2 ARG 37 19.397 -40.598 23.157 285 HG3 ARG 37 HG3 ARG 37 20.377 -39.181 23.545 286 HD2 ARG 37 HD2 ARG 37 19.469 -39.205 21.220 287 HD3 ARG 37 HD3 ARG 37 21.225 -39.070 21.316 288 HE ARG 37 HE ARG 37 20.273 -41.769 21.016 289 HH11 ARG 37 HH11 ARG 37 21.215 -38.854 19.362 290 HH12 ARG 37 HH12 ARG 37 21.612 -39.666 17.884 291 HH21 ARG 37 HH21 ARG 37 20.793 -42.849 19.076 292 HH22 ARG 37 HH22 ARG 37 21.371 -41.938 17.722 293 H LEU 38 H LEU 38 23.314 -40.957 26.893 294 HA LEU 38 HA LEU 38 24.744 -43.392 26.123 295 HB2 LEU 38 HB2 LEU 38 26.192 -41.696 25.316 296 HB3 LEU 38 HB3 LEU 38 25.998 -40.740 26.784 297 HG LEU 38 HG LEU 38 27.271 -42.409 28.041 298 HD11 LEU 38 HD11 LEU 38 27.713 -43.773 25.391 299 HD12 LEU 38 HD12 LEU 38 26.623 -44.355 26.649 300 HD13 LEU 38 HD13 LEU 38 28.356 -44.258 26.960 301 HD21 LEU 38 HD21 LEU 38 28.595 -41.358 25.546 302 HD22 LEU 38 HD22 LEU 38 29.467 -42.044 26.918 303 HD23 LEU 38 HD23 LEU 38 28.509 -40.577 27.125 304 H GLU 39 H GLU 39 24.930 -44.763 27.772 305 HA GLU 39 HA GLU 39 23.931 -44.072 30.354 306 HB2 GLU 39 HB2 GLU 39 24.570 -46.396 30.957 307 HB3 GLU 39 HB3 GLU 39 23.573 -46.302 29.511 308 HG2 GLU 39 HG2 GLU 39 25.254 -46.978 28.133 309 HG3 GLU 39 HG3 GLU 39 26.520 -46.324 29.171 Start of MODEL 3 1 H1 MET 1 H MET 1 0.907 2.474 -0.458 2 HA MET 1 HA MET 1 2.314 2.159 -2.931 3 HB2 MET 1 HB2 MET 1 2.044 4.381 -0.930 4 HB3 MET 1 HB3 MET 1 3.211 4.495 -2.240 5 HG2 MET 1 HG2 MET 1 1.401 4.206 -3.865 6 HG3 MET 1 HG3 MET 1 0.240 4.127 -2.542 7 HE1 MET 1 HE1 MET 1 -0.357 6.587 -4.788 8 HE2 MET 1 HE2 MET 1 1.070 7.620 -4.887 9 HE3 MET 1 HE3 MET 1 1.208 5.891 -5.211 10 H ILE 2 H ILE 2 3.362 0.207 -1.513 11 HA ILE 2 HA ILE 2 5.735 1.064 -0.093 12 HB ILE 2 HB ILE 2 4.942 -1.739 -0.887 13 HG12 ILE 2 HG12 ILE 2 3.195 -0.688 0.485 14 HG13 ILE 2 HG13 ILE 2 4.033 -1.948 1.384 15 HG21 ILE 2 HG21 ILE 2 7.003 -0.600 0.969 16 HG22 ILE 2 HG22 ILE 2 6.384 -2.238 1.175 17 HG23 ILE 2 HG23 ILE 2 7.205 -1.787 -0.319 18 HD11 ILE 2 HD11 ILE 2 5.387 0.475 1.883 19 HD12 ILE 2 HD12 ILE 2 3.659 0.781 2.063 20 HD13 ILE 2 HD13 ILE 2 4.430 -0.499 2.998 21 H SER 3 H SER 3 7.832 0.883 -0.782 22 HA SER 3 HA SER 3 8.194 0.647 -3.666 23 HB2 SER 3 HB2 SER 3 10.360 1.367 -1.703 24 HB3 SER 3 HB3 SER 3 10.212 1.824 -3.400 25 HG SER 3 HG SER 3 9.491 3.252 -1.367 26 H ASP 4 H ASP 4 9.388 -0.901 -4.659 27 HA ASP 4 HA ASP 4 9.684 -3.409 -3.502 28 HB2 ASP 4 HB2 ASP 4 10.970 -4.016 -5.473 29 HB3 ASP 4 HB3 ASP 4 9.621 -2.985 -5.943 30 H GLU 5 H GLU 5 11.959 -0.738 -3.728 31 HA GLU 5 HA GLU 5 14.281 -2.099 -2.943 32 HB2 GLU 5 HB2 GLU 5 13.868 0.369 -3.801 33 HB3 GLU 5 HB3 GLU 5 13.837 0.724 -2.080 34 HG2 GLU 5 HG2 GLU 5 16.056 -0.134 -1.800 35 HG3 GLU 5 HG3 GLU 5 16.092 -0.700 -3.469 36 H GLN 6 H GLN 6 11.940 -0.260 -0.991 37 HA GLN 6 HA GLN 6 13.176 -0.768 1.491 38 HB2 GLN 6 HB2 GLN 6 10.317 -0.068 0.813 39 HB3 GLN 6 HB3 GLN 6 10.953 -0.120 2.452 40 HG2 GLN 6 HG2 GLN 6 12.238 1.593 0.365 41 HG3 GLN 6 HG3 GLN 6 10.806 2.142 1.236 42 HE21 GLN 6 HE21 GLN 6 12.590 3.796 1.728 43 HE22 GLN 6 HE22 GLN 6 13.471 3.529 3.190 44 H LEU 7 H LEU 7 10.356 -2.300 -0.056 45 HA LEU 7 HA LEU 7 9.809 -4.192 1.899 46 HB2 LEU 7 HB2 LEU 7 8.303 -3.778 0.062 47 HB3 LEU 7 HB3 LEU 7 9.493 -4.374 -1.093 48 HG LEU 7 HG LEU 7 8.562 -6.247 1.017 49 HD11 LEU 7 HD11 LEU 7 6.687 -6.845 -0.668 50 HD12 LEU 7 HD12 LEU 7 6.858 -5.170 -1.190 51 HD13 LEU 7 HD13 LEU 7 6.431 -5.533 0.482 52 HD21 LEU 7 HD21 LEU 7 9.897 -7.472 -0.297 53 HD22 LEU 7 HD22 LEU 7 9.815 -6.312 -1.623 54 HD23 LEU 7 HD23 LEU 7 8.530 -7.503 -1.412 55 H ASN 8 H ASN 8 11.929 -4.486 -0.942 56 HA ASN 8 HA ASN 8 12.734 -7.131 -0.520 57 HB2 ASN 8 HB2 ASN 8 13.229 -6.179 -2.629 58 HB3 ASN 8 HB3 ASN 8 14.054 -4.802 -1.904 59 HD21 ASN 8 HD21 ASN 8 14.273 -8.343 -1.721 60 HD22 ASN 8 HD22 ASN 8 15.987 -8.415 -1.928 61 H SER 9 H SER 9 14.299 -4.096 0.484 62 HA SER 9 HA SER 9 16.489 -5.232 1.792 63 HB2 SER 9 HB2 SER 9 16.762 -2.961 1.530 64 HB3 SER 9 HB3 SER 9 15.082 -2.604 1.929 65 HG SER 9 HG SER 9 17.205 -3.238 3.691 66 H LEU 10 H LEU 10 13.252 -4.452 2.982 67 HA LEU 10 HA LEU 10 13.740 -5.074 5.693 68 HB2 LEU 10 HB2 LEU 10 11.396 -4.569 3.990 69 HB3 LEU 10 HB3 LEU 10 11.091 -5.574 5.405 70 HG LEU 10 HG LEU 10 12.080 -3.744 6.805 71 HD11 LEU 10 HD11 LEU 10 13.294 -2.719 4.826 72 HD12 LEU 10 HD12 LEU 10 12.474 -1.604 5.918 73 HD13 LEU 10 HD13 LEU 10 11.741 -2.020 4.369 74 HD21 LEU 10 HD21 LEU 10 9.533 -4.051 5.780 75 HD22 LEU 10 HD22 LEU 10 9.886 -2.342 5.520 76 HD23 LEU 10 HD23 LEU 10 9.996 -3.030 7.142 77 H ALA 11 H ALA 11 12.701 -7.003 2.940 78 HA ALA 11 HA ALA 11 11.992 -9.331 4.374 79 HB1 ALA 11 HB1 ALA 11 11.213 -9.731 2.328 80 HB2 ALA 11 HB2 ALA 11 12.310 -8.557 1.599 81 HB3 ALA 11 HB3 ALA 11 12.855 -10.208 1.894 82 H ILE 12 H ILE 12 14.966 -8.551 2.562 83 HA ILE 12 HA ILE 12 16.386 -10.858 3.263 84 HB ILE 12 HB ILE 12 17.146 -9.445 1.454 85 HG12 ILE 12 HG12 ILE 12 19.547 -9.284 2.038 86 HG13 ILE 12 HG13 ILE 12 19.136 -9.513 3.734 87 HG21 ILE 12 HG21 ILE 12 18.042 -7.246 1.770 88 HG22 ILE 12 HG22 ILE 12 16.438 -7.299 2.500 89 HG23 ILE 12 HG23 ILE 12 17.874 -7.377 3.520 90 HD11 ILE 12 HD11 ILE 12 18.638 -11.505 1.534 91 HD12 ILE 12 HD12 ILE 12 19.960 -11.563 2.700 92 HD13 ILE 12 HD13 ILE 12 18.293 -11.733 3.248 93 H THR 13 H THR 13 16.165 -7.705 4.846 94 HA THR 13 HA THR 13 18.133 -8.106 6.801 95 HB THR 13 HB THR 13 15.621 -6.429 6.951 96 HG1 THR 13 HG1 THR 13 17.218 -4.749 6.471 97 HG21 THR 13 HG21 THR 13 17.640 -7.019 8.932 98 HG22 THR 13 HG22 THR 13 16.147 -6.094 9.094 99 HG23 THR 13 HG23 THR 13 17.621 -5.300 8.538 100 H PHE 14 H PHE 14 14.605 -8.575 7.005 101 HA PHE 14 HA PHE 14 14.581 -9.585 9.625 102 HB2 PHE 14 HB2 PHE 14 12.602 -8.765 8.240 103 HB3 PHE 14 HB3 PHE 14 12.608 -10.351 7.476 104 HD1 PHE 14 HD1 PHE 14 11.214 -11.950 8.341 105 HD2 PHE 14 HD2 PHE 14 12.644 -8.863 10.898 106 HE1 PHE 14 HE1 PHE 14 9.841 -12.840 10.179 107 HE2 PHE 14 HE2 PHE 14 11.274 -9.748 12.739 108 HZ PHE 14 HZ PHE 14 9.871 -11.740 12.382 109 H GLY 15 H GLY 15 15.132 -11.122 6.525 110 HA2 GLY 15 HA2 GLY 15 14.831 -13.806 7.362 111 HA3 GLY 15 HA3 GLY 15 15.738 -13.263 5.958 112 H ILE 16 H ILE 16 17.800 -11.887 6.886 113 HA ILE 16 HA ILE 16 19.548 -13.860 7.873 114 HB ILE 16 HB ILE 16 21.192 -12.022 8.118 115 HG12 ILE 16 HG12 ILE 16 18.831 -10.300 7.341 116 HG13 ILE 16 HG13 ILE 16 19.728 -10.235 8.854 117 HG21 ILE 16 HG21 ILE 16 20.091 -11.342 5.511 118 HG22 ILE 16 HG22 ILE 16 21.605 -12.142 5.928 119 HG23 ILE 16 HG23 ILE 16 20.114 -13.078 5.821 120 HD11 ILE 16 HD11 ILE 16 20.615 -9.381 6.123 121 HD12 ILE 16 HD12 ILE 16 20.489 -8.418 7.596 122 HD13 ILE 16 HD13 ILE 16 21.752 -9.640 7.446 123 H VAL 17 H VAL 17 17.840 -11.208 9.447 124 HA VAL 17 HA VAL 17 19.137 -11.442 11.960 125 HB VAL 17 HB VAL 17 16.442 -10.275 11.256 126 HG11 VAL 17 HG11 VAL 17 17.814 -10.638 13.833 127 HG12 VAL 17 HG12 VAL 17 17.173 -9.021 13.535 128 HG13 VAL 17 HG13 VAL 17 16.101 -10.420 13.478 129 HG21 VAL 17 HG21 VAL 17 18.543 -8.451 12.074 130 HG22 VAL 17 HG22 VAL 17 18.988 -9.378 10.641 131 HG23 VAL 17 HG23 VAL 17 17.511 -8.414 10.645 132 H MET 18 H MET 18 16.086 -12.730 10.683 133 HA MET 18 HA MET 18 15.319 -14.027 13.088 134 HB2 MET 18 HB2 MET 18 13.838 -13.401 11.101 135 HB3 MET 18 HB3 MET 18 14.462 -14.847 10.318 136 HG2 MET 18 HG2 MET 18 13.672 -15.779 12.773 137 HG3 MET 18 HG3 MET 18 12.454 -14.561 12.402 138 HE1 MET 18 HE1 MET 18 11.275 -18.027 12.202 139 HE2 MET 18 HE2 MET 18 11.025 -16.400 12.835 140 HE3 MET 18 HE3 MET 18 10.124 -16.944 11.418 141 H MET 19 H MET 19 17.042 -15.091 10.188 142 HA MET 19 HA MET 19 17.191 -17.825 10.886 143 HB2 MET 19 HB2 MET 19 17.568 -17.027 8.600 144 HB3 MET 19 HB3 MET 19 19.020 -16.183 9.123 145 HG2 MET 19 HG2 MET 19 20.108 -18.262 9.634 146 HG3 MET 19 HG3 MET 19 18.631 -19.160 9.289 147 HE1 MET 19 HE1 MET 19 21.992 -18.107 7.888 148 HE2 MET 19 HE2 MET 19 21.625 -17.433 6.300 149 HE3 MET 19 HE3 MET 19 21.122 -16.578 7.759 150 H THR 20 H THR 20 19.328 -15.076 11.486 151 HA THR 20 HA THR 20 21.435 -16.581 12.648 152 HB THR 20 HB THR 20 20.737 -13.658 12.985 153 HG1 THR 20 HG1 THR 20 22.860 -14.677 11.431 154 HG21 THR 20 HG21 THR 20 23.264 -15.164 13.674 155 HG22 THR 20 HG22 THR 20 22.154 -14.401 14.812 156 HG23 THR 20 HG23 THR 20 23.091 -13.409 13.695 157 H LEU 21 H LEU 21 18.736 -14.736 14.040 158 HA LEU 21 HA LEU 21 19.383 -15.132 16.736 159 HB2 LEU 21 HB2 LEU 21 16.722 -14.711 15.391 160 HB3 LEU 21 HB3 LEU 21 16.949 -14.703 17.139 161 HG LEU 21 HG LEU 21 18.502 -12.815 15.410 162 HD11 LEU 21 HD11 LEU 21 16.144 -12.578 14.759 163 HD12 LEU 21 HD12 LEU 21 16.745 -11.163 15.622 164 HD13 LEU 21 HD13 LEU 21 15.714 -12.329 16.451 165 HD21 LEU 21 HD21 LEU 21 17.829 -13.144 18.270 166 HD22 LEU 21 HD22 LEU 21 17.893 -11.492 17.654 167 HD23 LEU 21 HD23 LEU 21 19.303 -12.544 17.510 168 H ILE 22 H ILE 22 17.204 -16.973 14.611 169 HA ILE 22 HA ILE 22 16.499 -18.905 16.555 170 HB ILE 22 HB ILE 22 16.453 -19.141 13.544 171 HG12 ILE 22 HG12 ILE 22 14.125 -18.557 15.366 172 HG13 ILE 22 HG13 ILE 22 15.112 -17.270 14.683 173 HG21 ILE 22 HG21 ILE 22 15.385 -20.871 15.739 174 HG22 ILE 22 HG22 ILE 22 14.594 -20.827 14.164 175 HG23 ILE 22 HG23 ILE 22 16.280 -21.330 14.290 176 HD11 ILE 22 HD11 ILE 22 13.849 -19.334 12.928 177 HD12 ILE 22 HD12 ILE 22 12.947 -17.924 13.485 178 HD13 ILE 22 HD13 ILE 22 14.406 -17.712 12.519 179 H ASP 23 H ASP 23 19.075 -18.716 14.168 180 HA ASP 23 HA ASP 23 19.975 -21.368 14.306 181 HB2 ASP 23 HB2 ASP 23 20.735 -19.876 12.551 182 HB3 ASP 23 HB3 ASP 23 21.506 -18.823 13.734 183 H ILE 24 H ILE 24 21.113 -18.489 16.068 184 HA ILE 24 HA ILE 24 22.984 -19.875 17.667 185 HB ILE 24 HB ILE 24 21.584 -17.259 18.235 186 HG12 ILE 24 HG12 ILE 24 22.851 -17.291 16.108 187 HG13 ILE 24 HG13 ILE 24 23.572 -16.210 17.295 188 HG21 ILE 24 HG21 ILE 24 22.535 -17.441 20.243 189 HG22 ILE 24 HG22 ILE 24 23.498 -18.832 19.749 190 HG23 ILE 24 HG23 ILE 24 24.075 -17.199 19.419 191 HD11 ILE 24 HD11 ILE 24 25.238 -17.517 16.062 192 HD12 ILE 24 HD12 ILE 24 25.275 -17.844 17.795 193 HD13 ILE 24 HD13 ILE 24 24.523 -19.000 16.695 194 H TYR 25 H TYR 25 19.680 -18.744 18.356 195 HA TYR 25 HA TYR 25 19.516 -19.665 20.986 196 HB2 TYR 25 HB2 TYR 25 17.533 -18.982 18.867 197 HB3 TYR 25 HB3 TYR 25 16.957 -19.853 20.284 198 HD1 TYR 25 HD1 TYR 25 19.372 -17.044 19.742 199 HD2 TYR 25 HD2 TYR 25 15.914 -18.454 21.783 200 HE1 TYR 25 HE1 TYR 25 19.251 -14.927 20.989 201 HE2 TYR 25 HE2 TYR 25 15.783 -16.340 23.033 202 HH TYR 25 HH TYR 25 16.552 -14.210 23.136 203 H HIS 26 H HIS 26 18.955 -21.316 17.930 204 HA HIS 26 HA HIS 26 17.839 -23.677 19.043 205 HB2 HIS 26 HB2 HIS 26 17.453 -23.206 16.722 206 HB3 HIS 26 HB3 HIS 26 19.181 -23.132 16.392 207 HD1 HIS 26 HD1 HIS 26 16.383 -25.548 16.948 208 HD2 HIS 26 HD2 HIS 26 20.442 -25.608 16.062 209 HE1 HIS 26 HE1 HIS 26 16.887 -27.914 16.261 210 H ALA 27 H ALA 27 21.113 -22.896 17.883 211 HA ALA 27 HA ALA 27 22.308 -25.350 18.461 212 HB1 ALA 27 HB1 ALA 27 23.267 -23.416 17.131 213 HB2 ALA 27 HB2 ALA 27 23.727 -22.709 18.680 214 HB3 ALA 27 HB3 ALA 27 24.386 -24.271 18.193 215 H VAL 28 H VAL 28 22.069 -22.421 20.466 216 HA VAL 28 HA VAL 28 23.475 -23.428 22.684 217 HB VAL 28 HB VAL 28 21.303 -21.327 22.628 218 HG11 VAL 28 HG11 VAL 28 21.553 -22.015 24.876 219 HG12 VAL 28 HG12 VAL 28 23.310 -22.097 24.734 220 HG13 VAL 28 HG13 VAL 28 22.494 -20.533 24.714 221 HG21 VAL 28 HG21 VAL 28 23.398 -21.020 21.184 222 HG22 VAL 28 HG22 VAL 28 22.968 -19.717 22.292 223 HG23 VAL 28 HG23 VAL 28 24.264 -20.838 22.709 224 H ASP 29 H ASP 29 19.985 -23.289 22.014 225 HA ASP 29 HA ASP 29 19.131 -24.481 24.405 226 HB2 ASP 29 HB2 ASP 29 17.930 -24.100 21.695 227 HB3 ASP 29 HB3 ASP 29 17.130 -25.187 22.827 228 H SER 30 H SER 30 20.184 -25.864 21.349 229 HA SER 30 HA SER 30 19.411 -28.538 21.964 230 HB2 SER 30 HB2 SER 30 19.720 -27.830 19.648 231 HB3 SER 30 HB3 SER 30 21.421 -27.483 19.958 232 HG SER 30 HG SER 30 21.238 -29.514 19.017 233 H THR 31 H THR 31 22.347 -26.651 22.390 234 HA THR 31 HA THR 31 23.949 -28.873 23.231 235 HB THR 31 HB THR 31 25.462 -26.959 24.108 236 HG1 THR 31 HG1 THR 31 23.981 -25.357 22.327 237 HG21 THR 31 HG21 THR 31 26.170 -28.038 22.162 238 HG22 THR 31 HG22 THR 31 26.043 -26.350 21.667 239 HG23 THR 31 HG23 THR 31 24.771 -27.493 21.238 240 H MET 32 H MET 32 22.021 -26.406 24.830 241 HA MET 32 HA MET 32 22.930 -27.065 27.467 242 HB2 MET 32 HB2 MET 32 22.004 -24.827 26.763 243 HB3 MET 32 HB3 MET 32 20.415 -25.576 26.711 244 HG2 MET 32 HG2 MET 32 21.091 -26.286 29.175 245 HG3 MET 32 HG3 MET 32 22.098 -24.847 29.033 246 HE1 MET 32 HE1 MET 32 19.615 -22.704 30.771 247 HE2 MET 32 HE2 MET 32 20.381 -24.195 31.318 248 HE3 MET 32 HE3 MET 32 21.294 -23.039 30.347 249 H SER 33 H SER 33 20.147 -27.901 25.468 250 HA SER 33 HA SER 33 19.533 -30.066 27.353 251 HB2 SER 33 HB2 SER 33 17.954 -28.154 27.710 252 HB3 SER 33 HB3 SER 33 17.418 -28.343 26.041 253 HG SER 33 HG SER 33 16.456 -29.577 28.101 254 HA PRO 34 HA PRO 34 19.875 -31.475 22.918 255 HB2 PRO 34 HB2 PRO 34 21.620 -33.490 23.431 256 HB3 PRO 34 HB3 PRO 34 22.137 -31.835 23.091 257 HG2 PRO 34 HG2 PRO 34 21.847 -33.225 25.726 258 HG3 PRO 34 HG3 PRO 34 23.146 -32.158 25.162 259 HD2 PRO 34 HD2 PRO 34 21.169 -31.305 26.803 260 HD3 PRO 34 HD3 PRO 34 21.937 -30.246 25.603 261 H LYS 35 H LYS 35 19.931 -34.048 22.356 262 HA LYS 35 HA LYS 35 17.798 -35.254 23.994 263 HB2 LYS 35 HB2 LYS 35 18.153 -35.047 21.039 264 HB3 LYS 35 HB3 LYS 35 17.372 -36.485 21.684 265 HG2 LYS 35 HG2 LYS 35 15.561 -35.148 21.299 266 HG3 LYS 35 HG3 LYS 35 15.913 -34.740 22.980 267 HD2 LYS 35 HD2 LYS 35 16.742 -32.664 22.443 268 HD3 LYS 35 HD3 LYS 35 17.208 -33.154 20.812 269 HE2 LYS 35 HE2 LYS 35 14.341 -32.915 21.694 270 HE3 LYS 35 HE3 LYS 35 15.240 -31.571 20.991 271 HZ1 LYS 35 HZ1 LYS 35 15.721 -33.393 19.164 272 HZ2 LYS 35 HZ2 LYS 35 14.330 -32.432 19.119 273 HZ3 LYS 35 HZ3 LYS 35 14.249 -34.009 19.726 274 H ASN 36 H ASN 36 20.646 -35.877 21.997 275 HA ASN 36 HA ASN 36 20.723 -38.675 22.646 276 HB2 ASN 36 HB2 ASN 36 22.915 -38.634 21.482 277 HB3 ASN 36 HB3 ASN 36 21.622 -37.926 20.518 278 HD21 ASN 36 HD21 ASN 36 21.890 -35.945 19.739 279 HD22 ASN 36 HD22 ASN 36 23.166 -34.864 20.174 280 H ARG 37 H ARG 37 22.129 -39.733 24.030 281 HA ARG 37 HA ARG 37 23.148 -38.091 26.215 282 HB2 ARG 37 HB2 ARG 37 23.090 -41.104 26.072 283 HB3 ARG 37 HB3 ARG 37 23.231 -40.095 27.506 284 HG2 ARG 37 HG2 ARG 37 20.897 -39.203 26.763 285 HG3 ARG 37 HG3 ARG 37 20.831 -40.713 25.853 286 HD2 ARG 37 HD2 ARG 37 21.002 -42.018 27.805 287 HD3 ARG 37 HD3 ARG 37 21.521 -40.640 28.775 288 HE ARG 37 HE ARG 37 18.833 -41.411 28.182 289 HH11 ARG 37 HH11 ARG 37 20.900 -38.702 28.893 290 HH12 ARG 37 HH12 ARG 37 19.621 -37.729 29.542 291 HH21 ARG 37 HH21 ARG 37 17.141 -40.141 29.033 292 HH22 ARG 37 HH22 ARG 37 17.483 -38.549 29.622 293 H LEU 38 H LEU 38 25.271 -38.548 27.140 294 HA LEU 38 HA LEU 38 27.209 -39.486 25.129 295 HB2 LEU 38 HB2 LEU 38 28.777 -37.779 26.060 296 HB3 LEU 38 HB3 LEU 38 27.403 -37.126 25.171 297 HG LEU 38 HG LEU 38 27.204 -37.329 28.136 298 HD11 LEU 38 HD11 LEU 38 28.561 -35.563 28.612 299 HD12 LEU 38 HD12 LEU 38 28.424 -34.875 26.994 300 HD13 LEU 38 HD13 LEU 38 29.468 -36.269 27.274 301 HD21 LEU 38 HD21 LEU 38 26.374 -34.901 26.750 302 HD22 LEU 38 HD22 LEU 38 25.474 -35.944 27.851 303 HD23 LEU 38 HD23 LEU 38 25.590 -36.358 26.140 304 H GLU 39 H GLU 39 29.438 -39.831 26.247 305 HA GLU 39 HA GLU 39 29.007 -41.161 28.840 306 HB2 GLU 39 HB2 GLU 39 29.139 -42.859 27.103 307 HB3 GLU 39 HB3 GLU 39 30.641 -42.168 26.505 308 HG2 GLU 39 HG2 GLU 39 31.098 -44.145 27.801 309 HG3 GLU 39 HG3 GLU 39 31.731 -42.723 28.629 Start of MODEL 4 1 H1 MET 1 H MET 1 1.288 -2.096 -3.513 2 HA MET 1 HA MET 1 2.162 0.455 -3.496 3 HB2 MET 1 HB2 MET 1 1.364 -1.385 -1.285 4 HB3 MET 1 HB3 MET 1 2.004 0.198 -0.867 5 HG2 MET 1 HG2 MET 1 -0.211 -0.055 -2.853 6 HG3 MET 1 HG3 MET 1 -0.545 -0.125 -1.124 7 HE1 MET 1 HE1 MET 1 -0.633 2.769 -3.922 8 HE2 MET 1 HE2 MET 1 -1.713 1.585 -3.186 9 HE3 MET 1 HE3 MET 1 -1.714 3.255 -2.616 10 H ILE 2 H ILE 2 3.671 -2.016 -1.406 11 HA ILE 2 HA ILE 2 5.923 -0.411 -0.796 12 HB ILE 2 HB ILE 2 5.756 -3.420 -0.626 13 HG12 ILE 2 HG12 ILE 2 3.846 -2.441 0.528 14 HG13 ILE 2 HG13 ILE 2 5.002 -3.058 1.703 15 HG21 ILE 2 HG21 ILE 2 7.330 -2.972 1.323 16 HG22 ILE 2 HG22 ILE 2 7.987 -2.763 -0.300 17 HG23 ILE 2 HG23 ILE 2 7.521 -1.353 0.651 18 HD11 ILE 2 HD11 ILE 2 5.803 -0.825 2.137 19 HD12 ILE 2 HD12 ILE 2 4.740 -0.175 0.889 20 HD13 ILE 2 HD13 ILE 2 4.054 -0.892 2.346 21 H SER 3 H SER 3 8.020 -0.465 -1.566 22 HA SER 3 HA SER 3 8.303 -1.213 -4.329 23 HB2 SER 3 HB2 SER 3 10.151 0.098 -2.336 24 HB3 SER 3 HB3 SER 3 10.669 -0.315 -3.970 25 HG SER 3 HG SER 3 9.921 1.798 -3.953 26 H ASP 4 H ASP 4 9.739 -2.712 -5.199 27 HA ASP 4 HA ASP 4 10.010 -5.139 -3.826 28 HB2 ASP 4 HB2 ASP 4 11.452 -5.826 -5.716 29 HB3 ASP 4 HB3 ASP 4 9.969 -5.044 -6.257 30 H GLU 5 H GLU 5 12.246 -2.457 -4.274 31 HA GLU 5 HA GLU 5 14.576 -3.691 -3.330 32 HB2 GLU 5 HB2 GLU 5 14.195 -1.354 -4.439 33 HB3 GLU 5 HB3 GLU 5 14.007 -0.801 -2.781 34 HG2 GLU 5 HG2 GLU 5 16.271 -2.053 -2.421 35 HG3 GLU 5 HG3 GLU 5 16.421 -1.857 -4.166 36 H GLN 6 H GLN 6 12.255 -1.633 -1.571 37 HA GLN 6 HA GLN 6 13.447 -1.971 0.957 38 HB2 GLN 6 HB2 GLN 6 10.608 -1.259 0.207 39 HB3 GLN 6 HB3 GLN 6 11.254 -1.162 1.840 40 HG2 GLN 6 HG2 GLN 6 12.922 0.468 1.058 41 HG3 GLN 6 HG3 GLN 6 12.201 0.404 -0.549 42 HE21 GLN 6 HE21 GLN 6 12.377 2.253 2.063 43 HE22 GLN 6 HE22 GLN 6 10.825 3.012 2.033 44 H LEU 7 H LEU 7 10.729 -3.639 -0.601 45 HA LEU 7 HA LEU 7 10.019 -5.302 1.523 46 HB2 LEU 7 HB2 LEU 7 8.639 -5.031 -0.455 47 HB3 LEU 7 HB3 LEU 7 9.868 -5.818 -1.443 48 HG LEU 7 HG LEU 7 8.704 -7.350 0.826 49 HD11 LEU 7 HD11 LEU 7 6.688 -6.511 -0.063 50 HD12 LEU 7 HD12 LEU 7 6.895 -8.115 -0.766 51 HD13 LEU 7 HD13 LEU 7 7.260 -6.680 -1.724 52 HD21 LEU 7 HD21 LEU 7 8.823 -9.045 -1.207 53 HD22 LEU 7 HD22 LEU 7 10.242 -8.650 -0.238 54 HD23 LEU 7 HD23 LEU 7 9.993 -7.865 -1.798 55 H ASN 8 H ASN 8 12.191 -5.989 -1.218 56 HA ASN 8 HA ASN 8 12.959 -8.553 -0.424 57 HB2 ASN 8 HB2 ASN 8 13.524 -7.958 -2.623 58 HB3 ASN 8 HB3 ASN 8 14.278 -6.449 -2.119 59 HD21 ASN 8 HD21 ASN 8 14.606 -9.950 -1.670 60 HD22 ASN 8 HD22 ASN 8 16.333 -9.965 -1.707 61 H SER 9 H SER 9 14.552 -5.430 0.188 62 HA SER 9 HA SER 9 16.715 -6.393 1.660 63 HB2 SER 9 HB2 SER 9 16.287 -4.016 0.775 64 HB3 SER 9 HB3 SER 9 15.369 -3.763 2.259 65 HG SER 9 HG SER 9 18.017 -4.746 2.290 66 H LEU 10 H LEU 10 13.485 -5.410 2.733 67 HA LEU 10 HA LEU 10 13.949 -5.736 5.497 68 HB2 LEU 10 HB2 LEU 10 11.628 -5.366 3.734 69 HB3 LEU 10 HB3 LEU 10 11.287 -6.213 5.241 70 HG LEU 10 HG LEU 10 12.346 -4.260 6.441 71 HD11 LEU 10 HD11 LEU 10 11.949 -2.819 3.833 72 HD12 LEU 10 HD12 LEU 10 13.515 -3.442 4.353 73 HD13 LEU 10 HD13 LEU 10 12.690 -2.216 5.316 74 HD21 LEU 10 HD21 LEU 10 10.320 -2.752 5.918 75 HD22 LEU 10 HD22 LEU 10 10.030 -4.359 6.585 76 HD23 LEU 10 HD23 LEU 10 9.810 -4.068 4.859 77 H ALA 11 H ALA 11 12.898 -7.948 2.974 78 HA ALA 11 HA ALA 11 12.110 -10.079 4.648 79 HB1 ALA 11 HB1 ALA 11 11.333 -10.327 2.501 80 HB2 ALA 11 HB2 ALA 11 12.862 -9.833 1.773 81 HB3 ALA 11 HB3 ALA 11 12.705 -11.436 2.492 82 H ILE 12 H ILE 12 15.147 -9.567 2.845 83 HA ILE 12 HA ILE 12 16.491 -11.807 3.869 84 HB ILE 12 HB ILE 12 17.313 -10.667 1.898 85 HG12 ILE 12 HG12 ILE 12 19.710 -10.495 2.499 86 HG13 ILE 12 HG13 ILE 12 19.268 -10.489 4.203 87 HG21 ILE 12 HG21 ILE 12 18.303 -8.471 1.962 88 HG22 ILE 12 HG22 ILE 12 16.660 -8.386 2.597 89 HG23 ILE 12 HG23 ILE 12 18.035 -8.362 3.701 90 HD11 ILE 12 HD11 ILE 12 18.358 -12.748 2.499 91 HD12 ILE 12 HD12 ILE 12 20.044 -12.683 3.014 92 HD13 ILE 12 HD13 ILE 12 18.755 -12.713 4.217 93 H THR 13 H THR 13 16.267 -8.482 5.027 94 HA THR 13 HA THR 13 18.214 -8.628 7.042 95 HB THR 13 HB THR 13 15.706 -6.942 6.937 96 HG1 THR 13 HG1 THR 13 16.877 -5.607 5.752 97 HG21 THR 13 HG21 THR 13 18.156 -6.710 8.688 98 HG22 THR 13 HG22 THR 13 16.509 -7.051 9.217 99 HG23 THR 13 HG23 THR 13 16.908 -5.475 8.536 100 H PHE 14 H PHE 14 14.682 -9.061 7.257 101 HA PHE 14 HA PHE 14 14.606 -9.714 9.982 102 HB2 PHE 14 HB2 PHE 14 12.770 -10.059 7.666 103 HB3 PHE 14 HB3 PHE 14 12.445 -11.020 9.105 104 HD1 PHE 14 HD1 PHE 14 10.675 -10.112 10.247 105 HD2 PHE 14 HD2 PHE 14 13.632 -7.518 8.621 106 HE1 PHE 14 HE1 PHE 14 9.548 -8.184 11.281 107 HE2 PHE 14 HE2 PHE 14 12.511 -5.587 9.653 108 HZ PHE 14 HZ PHE 14 10.466 -5.918 10.986 109 H GLY 15 H GLY 15 15.003 -11.733 7.108 110 HA2 GLY 15 HA2 GLY 15 14.794 -14.242 8.341 111 HA3 GLY 15 HA3 GLY 15 15.681 -13.911 6.861 112 H ILE 16 H ILE 16 17.737 -12.379 7.580 113 HA ILE 16 HA ILE 16 19.546 -14.171 8.744 114 HB ILE 16 HB ILE 16 19.795 -11.182 8.396 115 HG12 ILE 16 HG12 ILE 16 19.442 -12.476 6.310 116 HG13 ILE 16 HG13 ILE 16 21.032 -11.725 6.376 117 HG21 ILE 16 HG21 ILE 16 21.489 -11.563 9.880 118 HG22 ILE 16 HG22 ILE 16 21.682 -13.247 9.397 119 HG23 ILE 16 HG23 ILE 16 22.319 -11.959 8.375 120 HD11 ILE 16 HD11 ILE 16 21.128 -13.992 5.487 121 HD12 ILE 16 HD12 ILE 16 22.024 -13.851 7.000 122 HD13 ILE 16 HD13 ILE 16 20.432 -14.610 6.985 123 H VAL 17 H VAL 17 18.093 -11.212 10.094 124 HA VAL 17 HA VAL 17 19.282 -11.213 12.583 125 HB VAL 17 HB VAL 17 16.447 -10.424 11.900 126 HG11 VAL 17 HG11 VAL 17 17.893 -10.461 14.422 127 HG12 VAL 17 HG12 VAL 17 17.292 -8.855 14.005 128 HG13 VAL 17 HG13 VAL 17 16.175 -10.217 14.105 129 HG21 VAL 17 HG21 VAL 17 17.225 -8.335 11.347 130 HG22 VAL 17 HG22 VAL 17 18.687 -8.500 12.320 131 HG23 VAL 17 HG23 VAL 17 18.556 -9.342 10.776 132 H MET 18 H MET 18 16.190 -12.754 11.699 133 HA MET 18 HA MET 18 15.659 -13.917 14.180 134 HB2 MET 18 HB2 MET 18 14.466 -13.897 11.654 135 HB3 MET 18 HB3 MET 18 14.780 -15.595 11.986 136 HG2 MET 18 HG2 MET 18 13.725 -14.827 14.344 137 HG3 MET 18 HG3 MET 18 12.887 -13.734 13.245 138 HE1 MET 18 HE1 MET 18 11.085 -15.568 10.854 139 HE2 MET 18 HE2 MET 18 10.132 -15.167 12.283 140 HE3 MET 18 HE3 MET 18 11.421 -14.086 11.751 141 H MET 19 H MET 19 17.243 -15.344 11.325 142 HA MET 19 HA MET 19 17.776 -17.854 12.395 143 HB2 MET 19 HB2 MET 19 18.061 -17.188 10.004 144 HB3 MET 19 HB3 MET 19 19.530 -16.335 10.459 145 HG2 MET 19 HG2 MET 19 19.338 -19.175 11.248 146 HG3 MET 19 HG3 MET 19 19.519 -18.830 9.530 147 HE1 MET 19 HE1 MET 19 22.555 -18.237 8.655 148 HE2 MET 19 HE2 MET 19 22.855 -19.713 9.572 149 HE3 MET 19 HE3 MET 19 21.306 -19.478 8.762 150 H THR 20 H THR 20 19.390 -14.803 12.879 151 HA THR 20 HA THR 20 21.774 -15.874 14.026 152 HB THR 20 HB THR 20 20.581 -13.105 14.273 153 HG1 THR 20 HG1 THR 20 21.255 -13.904 12.127 154 HG21 THR 20 HG21 THR 20 23.287 -14.197 15.033 155 HG22 THR 20 HG22 THR 20 22.111 -13.401 16.078 156 HG23 THR 20 HG23 THR 20 22.954 -12.477 14.836 157 H LEU 21 H LEU 21 19.001 -14.164 15.487 158 HA LEU 21 HA LEU 21 19.751 -14.628 18.152 159 HB2 LEU 21 HB2 LEU 21 17.705 -13.736 18.754 160 HB3 LEU 21 HB3 LEU 21 18.009 -13.006 17.179 161 HG LEU 21 HG LEU 21 16.555 -15.079 16.368 162 HD11 LEU 21 HD11 LEU 21 16.046 -16.207 18.310 163 HD12 LEU 21 HD12 LEU 21 14.635 -15.166 18.123 164 HD13 LEU 21 HD13 LEU 21 15.909 -14.728 19.261 165 HD21 LEU 21 HD21 LEU 21 15.188 -12.704 17.600 166 HD22 LEU 21 HD22 LEU 21 14.740 -13.603 16.150 167 HD23 LEU 21 HD23 LEU 21 16.172 -12.573 16.142 168 H ILE 22 H ILE 22 17.894 -16.542 15.875 169 HA ILE 22 HA ILE 22 16.933 -18.425 17.791 170 HB ILE 22 HB ILE 22 17.188 -18.622 14.790 171 HG12 ILE 22 HG12 ILE 22 14.650 -18.352 16.380 172 HG13 ILE 22 HG13 ILE 22 15.592 -16.932 15.940 173 HG21 ILE 22 HG21 ILE 22 16.053 -20.520 16.813 174 HG22 ILE 22 HG22 ILE 22 15.462 -20.489 15.152 175 HG23 ILE 22 HG23 ILE 22 17.158 -20.850 15.478 176 HD11 ILE 22 HD11 ILE 22 13.655 -18.244 14.414 177 HD12 ILE 22 HD12 ILE 22 14.714 -16.925 13.913 178 HD13 ILE 22 HD13 ILE 22 15.201 -18.598 13.643 179 H ASP 23 H ASP 23 19.628 -18.407 15.484 180 HA ASP 23 HA ASP 23 20.553 -21.008 16.020 181 HB2 ASP 23 HB2 ASP 23 21.317 -19.891 14.044 182 HB3 ASP 23 HB3 ASP 23 21.972 -18.552 14.983 183 H ILE 24 H ILE 24 21.289 -17.892 17.504 184 HA ILE 24 HA ILE 24 23.373 -18.863 19.180 185 HB ILE 24 HB ILE 24 21.654 -16.399 19.491 186 HG12 ILE 24 HG12 ILE 24 24.489 -16.450 18.508 187 HG13 ILE 24 HG13 ILE 24 23.163 -16.761 17.394 188 HG21 ILE 24 HG21 ILE 24 22.566 -16.591 21.581 189 HG22 ILE 24 HG22 ILE 24 23.992 -17.449 21.000 190 HG23 ILE 24 HG23 ILE 24 23.853 -15.707 20.761 191 HD11 ILE 24 HD11 ILE 24 23.552 -14.276 19.043 192 HD12 ILE 24 HD12 ILE 24 23.823 -14.441 17.308 193 HD13 ILE 24 HD13 ILE 24 22.193 -14.587 17.963 194 H TYR 25 H TYR 25 19.981 -17.988 19.849 195 HA TYR 25 HA TYR 25 19.961 -18.772 22.535 196 HB2 TYR 25 HB2 TYR 25 17.880 -18.296 20.457 197 HB3 TYR 25 HB3 TYR 25 17.395 -19.148 21.919 198 HD1 TYR 25 HD1 TYR 25 17.209 -16.095 20.528 199 HD2 TYR 25 HD2 TYR 25 18.720 -17.885 24.079 200 HE1 TYR 25 HE1 TYR 25 16.989 -13.943 21.699 201 HE2 TYR 25 HE2 TYR 25 18.503 -15.739 25.261 202 HH TYR 25 HH TYR 25 16.999 -13.608 24.943 203 H HIS 26 H HIS 26 19.257 -20.590 19.587 204 HA HIS 26 HA HIS 26 18.434 -22.965 20.919 205 HB2 HIS 26 HB2 HIS 26 17.722 -22.610 18.652 206 HB3 HIS 26 HB3 HIS 26 19.386 -22.458 18.096 207 HD1 HIS 26 HD1 HIS 26 20.698 -24.620 17.684 208 HD2 HIS 26 HD2 HIS 26 16.852 -25.251 19.122 209 HE1 HIS 26 HE1 HIS 26 20.264 -27.079 17.386 210 H ALA 27 H ALA 27 21.508 -21.801 19.645 211 HA ALA 27 HA ALA 27 22.972 -24.186 19.922 212 HB1 ALA 27 HB1 ALA 27 24.959 -22.578 20.055 213 HB2 ALA 27 HB2 ALA 27 23.963 -22.533 18.600 214 HB3 ALA 27 HB3 ALA 27 23.768 -21.295 19.841 215 H VAL 28 H VAL 28 22.605 -21.418 22.128 216 HA VAL 28 HA VAL 28 24.195 -22.575 24.193 217 HB VAL 28 HB VAL 28 23.888 -20.150 24.028 218 HG11 VAL 28 HG11 VAL 28 21.074 -20.524 25.014 219 HG12 VAL 28 HG12 VAL 28 21.844 -19.053 24.416 220 HG13 VAL 28 HG13 VAL 28 21.460 -20.364 23.300 221 HG21 VAL 28 HG21 VAL 28 23.578 -19.695 26.370 222 HG22 VAL 28 HG22 VAL 28 22.709 -21.213 26.593 223 HG23 VAL 28 HG23 VAL 28 24.428 -21.231 26.199 224 H ASP 29 H ASP 29 20.764 -22.530 23.444 225 HA ASP 29 HA ASP 29 19.845 -23.559 25.914 226 HB2 ASP 29 HB2 ASP 29 18.344 -22.446 24.331 227 HB3 ASP 29 HB3 ASP 29 18.599 -23.739 23.162 228 H SER 30 H SER 30 20.710 -25.111 22.845 229 HA SER 30 HA SER 30 20.089 -27.747 23.747 230 HB2 SER 30 HB2 SER 30 20.099 -27.101 21.349 231 HB3 SER 30 HB3 SER 30 21.849 -26.899 21.433 232 HG SER 30 HG SER 30 21.026 -28.993 20.649 233 H THR 31 H THR 31 23.056 -25.846 23.478 234 HA THR 31 HA THR 31 24.831 -27.917 24.236 235 HB THR 31 HB THR 31 25.173 -24.921 24.470 236 HG1 THR 31 HG1 THR 31 26.090 -26.749 22.481 237 HG21 THR 31 HG21 THR 31 26.999 -25.449 25.660 238 HG22 THR 31 HG22 THR 31 27.665 -26.045 24.140 239 HG23 THR 31 HG23 THR 31 26.872 -27.160 25.253 240 H MET 32 H MET 32 22.996 -25.529 26.051 241 HA MET 32 HA MET 32 24.265 -26.201 28.556 242 HB2 MET 32 HB2 MET 32 23.478 -23.918 28.152 243 HB3 MET 32 HB3 MET 32 21.831 -24.507 27.965 244 HG2 MET 32 HG2 MET 32 21.843 -25.261 30.292 245 HG3 MET 32 HG3 MET 32 23.485 -24.650 30.475 246 HE1 MET 32 HE1 MET 32 23.873 -22.856 31.712 247 HE2 MET 32 HE2 MET 32 22.870 -21.436 32.009 248 HE3 MET 32 HE3 MET 32 22.426 -22.992 32.712 249 H SER 33 H SER 33 21.215 -26.880 26.921 250 HA SER 33 HA SER 33 20.702 -28.980 28.916 251 HB2 SER 33 HB2 SER 33 19.182 -27.135 29.399 252 HB3 SER 33 HB3 SER 33 18.649 -27.104 27.718 253 HG SER 33 HG SER 33 17.169 -28.410 28.474 254 HA PRO 34 HA PRO 34 20.697 -30.610 24.544 255 HB2 PRO 34 HB2 PRO 34 22.409 -32.658 25.040 256 HB3 PRO 34 HB3 PRO 34 22.954 -31.040 24.584 257 HG2 PRO 34 HG2 PRO 34 22.800 -32.292 27.299 258 HG3 PRO 34 HG3 PRO 34 24.090 -31.299 26.597 259 HD2 PRO 34 HD2 PRO 34 22.257 -30.300 28.321 260 HD3 PRO 34 HD3 PRO 34 22.975 -29.327 27.021 261 H LYS 35 H LYS 35 18.833 -31.665 24.268 262 HA LYS 35 HA LYS 35 17.929 -33.631 26.203 263 HB2 LYS 35 HB2 LYS 35 16.706 -32.287 23.819 264 HB3 LYS 35 HB3 LYS 35 15.974 -33.749 24.469 265 HG2 LYS 35 HG2 LYS 35 15.925 -32.575 26.706 266 HG3 LYS 35 HG3 LYS 35 16.351 -31.100 25.834 267 HD2 LYS 35 HD2 LYS 35 13.965 -32.812 25.155 268 HD3 LYS 35 HD3 LYS 35 13.894 -31.424 26.243 269 HE2 LYS 35 HE2 LYS 35 14.949 -31.235 23.433 270 HE3 LYS 35 HE3 LYS 35 13.244 -31.013 23.824 271 HZ1 LYS 35 HZ1 LYS 35 14.126 -29.299 25.499 272 HZ2 LYS 35 HZ2 LYS 35 14.084 -28.875 23.862 273 HZ3 LYS 35 HZ3 LYS 35 15.546 -29.333 24.579 274 H ASN 36 H ASN 36 18.903 -33.513 22.802 275 HA ASN 36 HA ASN 36 18.624 -36.394 22.541 276 HB2 ASN 36 HB2 ASN 36 19.830 -34.592 20.460 277 HB3 ASN 36 HB3 ASN 36 18.947 -36.098 20.237 278 HD21 ASN 36 HD21 ASN 36 18.668 -33.143 19.388 279 HD22 ASN 36 HD22 ASN 36 16.988 -32.826 19.638 280 H ARG 37 H ARG 37 20.541 -37.465 21.287 281 HA ARG 37 HA ARG 37 23.147 -36.535 22.171 282 HB2 ARG 37 HB2 ARG 37 23.695 -38.711 23.232 283 HB3 ARG 37 HB3 ARG 37 22.448 -37.819 24.093 284 HG2 ARG 37 HG2 ARG 37 21.500 -39.877 24.112 285 HG3 ARG 37 HG3 ARG 37 20.861 -39.295 22.573 286 HD2 ARG 37 HD2 ARG 37 22.256 -40.630 21.333 287 HD3 ARG 37 HD3 ARG 37 23.488 -40.695 22.593 288 HE ARG 37 HE ARG 37 21.309 -42.503 22.227 289 HH11 ARG 37 HH11 ARG 37 23.386 -41.050 24.613 290 HH12 ARG 37 HH12 ARG 37 23.213 -42.350 25.745 291 HH21 ARG 37 HH21 ARG 37 21.073 -44.221 23.709 292 HH22 ARG 37 HH22 ARG 37 21.898 -44.153 25.229 293 H LEU 38 H LEU 38 24.917 -37.786 21.226 294 HA LEU 38 HA LEU 38 25.975 -38.667 19.416 295 HB2 LEU 38 HB2 LEU 38 24.816 -40.688 20.339 296 HB3 LEU 38 HB3 LEU 38 23.530 -40.408 19.167 297 HG LEU 38 HG LEU 38 25.295 -40.647 17.369 298 HD11 LEU 38 HD11 LEU 38 26.945 -40.917 19.732 299 HD12 LEU 38 HD12 LEU 38 27.411 -40.661 18.051 300 HD13 LEU 38 HD13 LEU 38 27.115 -42.295 18.645 301 HD21 LEU 38 HD21 LEU 38 23.686 -42.471 18.539 302 HD22 LEU 38 HD22 LEU 38 25.261 -43.225 18.789 303 HD23 LEU 38 HD23 LEU 38 24.728 -42.816 17.158 304 H GLU 39 H GLU 39 25.483 -36.516 18.437 305 HA GLU 39 HA GLU 39 23.679 -36.797 16.124 306 HB2 GLU 39 HB2 GLU 39 23.645 -34.284 16.113 307 HB3 GLU 39 HB3 GLU 39 22.880 -35.028 17.510 308 HG2 GLU 39 HG2 GLU 39 24.554 -34.368 18.951 309 HG3 GLU 39 HG3 GLU 39 25.738 -34.188 17.658 Start of MODEL 5 1 H1 MET 1 H MET 1 1.820 0.666 -2.995 2 HA MET 1 HA MET 1 1.651 2.871 -1.059 3 HB2 MET 1 HB2 MET 1 -0.065 0.967 -1.080 4 HB3 MET 1 HB3 MET 1 1.225 -0.048 -0.449 5 HG2 MET 1 HG2 MET 1 1.463 1.634 1.417 6 HG3 MET 1 HG3 MET 1 -0.040 2.350 0.838 7 HE1 MET 1 HE1 MET 1 -2.636 0.935 2.278 8 HE2 MET 1 HE2 MET 1 -1.581 1.216 3.663 9 HE3 MET 1 HE3 MET 1 -1.509 2.292 2.266 10 H ILE 2 H ILE 2 3.365 -0.172 -1.696 11 HA ILE 2 HA ILE 2 5.482 0.719 0.147 12 HB ILE 2 HB ILE 2 6.169 -1.607 0.341 13 HG12 ILE 2 HG12 ILE 2 4.253 -3.225 -0.644 14 HG13 ILE 2 HG13 ILE 2 4.196 -1.943 -1.849 15 HG21 ILE 2 HG21 ILE 2 4.655 -2.056 1.939 16 HG22 ILE 2 HG22 ILE 2 3.998 -0.479 1.505 17 HG23 ILE 2 HG23 ILE 2 3.293 -1.945 0.824 18 HD11 ILE 2 HD11 ILE 2 5.857 -3.000 -2.864 19 HD12 ILE 2 HD12 ILE 2 6.894 -2.459 -1.544 20 HD13 ILE 2 HD13 ILE 2 6.135 -4.049 -1.473 21 H SER 3 H SER 3 7.608 0.729 -0.513 22 HA SER 3 HA SER 3 8.007 0.794 -3.397 23 HB2 SER 3 HB2 SER 3 9.794 1.606 -1.093 24 HB3 SER 3 HB3 SER 3 10.245 1.745 -2.792 25 HG SER 3 HG SER 3 8.068 2.950 -2.841 26 H ASP 4 H ASP 4 9.480 -0.461 -4.511 27 HA ASP 4 HA ASP 4 9.856 -3.102 -3.611 28 HB2 ASP 4 HB2 ASP 4 11.187 -3.416 -5.635 29 HB3 ASP 4 HB3 ASP 4 9.733 -2.488 -5.995 30 H GLU 5 H GLU 5 11.936 -0.271 -3.575 31 HA GLU 5 HA GLU 5 14.342 -1.585 -2.904 32 HB2 GLU 5 HB2 GLU 5 13.372 1.241 -2.530 33 HB3 GLU 5 HB3 GLU 5 14.959 0.727 -1.974 34 HG2 GLU 5 HG2 GLU 5 15.513 0.042 -4.274 35 HG3 GLU 5 HG3 GLU 5 13.947 0.653 -4.807 36 H GLN 6 H GLN 6 12.039 0.188 -0.837 37 HA GLN 6 HA GLN 6 13.293 -0.527 1.593 38 HB2 GLN 6 HB2 GLN 6 10.414 0.277 1.146 39 HB3 GLN 6 HB3 GLN 6 11.283 0.325 2.674 40 HG2 GLN 6 HG2 GLN 6 11.684 2.048 0.252 41 HG3 GLN 6 HG3 GLN 6 11.224 2.536 1.882 42 HE21 GLN 6 HE21 GLN 6 13.558 3.045 -0.078 43 HE22 GLN 6 HE22 GLN 6 14.950 2.916 0.938 44 H LEU 7 H LEU 7 10.709 -1.985 -0.298 45 HA LEU 7 HA LEU 7 9.896 -3.880 1.640 46 HB2 LEU 7 HB2 LEU 7 8.485 -3.297 -0.239 47 HB3 LEU 7 HB3 LEU 7 9.685 -3.925 -1.367 48 HG LEU 7 HG LEU 7 7.571 -5.325 -0.822 49 HD11 LEU 7 HD11 LEU 7 8.671 -7.043 -1.748 50 HD12 LEU 7 HD12 LEU 7 9.904 -7.065 -0.488 51 HD13 LEU 7 HD13 LEU 7 10.028 -5.920 -1.824 52 HD21 LEU 7 HD21 LEU 7 7.459 -6.489 1.131 53 HD22 LEU 7 HD22 LEU 7 8.265 -5.035 1.721 54 HD23 LEU 7 HD23 LEU 7 9.207 -6.485 1.367 55 H ASN 8 H ASN 8 12.008 -4.199 -1.214 56 HA ASN 8 HA ASN 8 12.726 -6.870 -0.810 57 HB2 ASN 8 HB2 ASN 8 13.203 -5.866 -2.922 58 HB3 ASN 8 HB3 ASN 8 14.168 -4.596 -2.176 59 HD21 ASN 8 HD21 ASN 8 16.191 -4.864 -2.772 60 HD22 ASN 8 HD22 ASN 8 17.061 -6.357 -2.772 61 H SER 9 H SER 9 14.412 -3.896 0.183 62 HA SER 9 HA SER 9 16.566 -5.136 1.471 63 HB2 SER 9 HB2 SER 9 16.414 -2.702 0.869 64 HB3 SER 9 HB3 SER 9 15.318 -2.487 2.234 65 HG SER 9 HG SER 9 17.883 -2.323 2.332 66 H LEU 10 H LEU 10 13.388 -4.167 2.678 67 HA LEU 10 HA LEU 10 13.864 -4.763 5.395 68 HB2 LEU 10 HB2 LEU 10 11.435 -4.399 3.704 69 HB3 LEU 10 HB3 LEU 10 11.258 -5.054 5.331 70 HG LEU 10 HG LEU 10 12.643 -2.438 4.796 71 HD11 LEU 10 HD11 LEU 10 9.889 -2.376 5.814 72 HD12 LEU 10 HD12 LEU 10 10.054 -2.829 4.118 73 HD13 LEU 10 HD13 LEU 10 10.713 -1.296 4.688 74 HD21 LEU 10 HD21 LEU 10 12.138 -4.060 7.103 75 HD22 LEU 10 HD22 LEU 10 11.304 -2.514 7.266 76 HD23 LEU 10 HD23 LEU 10 13.043 -2.552 6.976 77 H ALA 11 H ALA 11 12.767 -6.704 2.680 78 HA ALA 11 HA ALA 11 11.969 -8.972 4.182 79 HB1 ALA 11 HB1 ALA 11 12.224 -8.254 1.392 80 HB2 ALA 11 HB2 ALA 11 12.744 -9.913 1.688 81 HB3 ALA 11 HB3 ALA 11 11.127 -9.397 2.167 82 H ILE 12 H ILE 12 14.927 -8.332 2.293 83 HA ILE 12 HA ILE 12 16.273 -10.685 2.986 84 HB ILE 12 HB ILE 12 17.045 -9.311 1.150 85 HG12 ILE 12 HG12 ILE 12 19.465 -9.247 1.680 86 HG13 ILE 12 HG13 ILE 12 19.082 -9.458 3.385 87 HG21 ILE 12 HG21 ILE 12 16.455 -7.131 2.177 88 HG22 ILE 12 HG22 ILE 12 17.883 -7.268 3.201 89 HG23 ILE 12 HG23 ILE 12 18.061 -7.152 1.451 90 HD11 ILE 12 HD11 ILE 12 18.298 -11.439 1.269 91 HD12 ILE 12 HD12 ILE 12 19.813 -11.520 2.169 92 HD13 ILE 12 HD13 ILE 12 18.275 -11.650 3.020 93 H THR 13 H THR 13 16.156 -7.532 4.567 94 HA THR 13 HA THR 13 18.160 -8.013 6.489 95 HB THR 13 HB THR 13 16.966 -6.205 7.814 96 HG1 THR 13 HG1 THR 13 15.158 -5.328 6.988 97 HG21 THR 13 HG21 THR 13 17.247 -4.592 5.636 98 HG22 THR 13 HG22 THR 13 18.188 -6.002 5.151 99 HG23 THR 13 HG23 THR 13 18.579 -5.153 6.646 100 H PHE 14 H PHE 14 14.612 -8.259 6.734 101 HA PHE 14 HA PHE 14 14.535 -9.206 9.370 102 HB2 PHE 14 HB2 PHE 14 12.651 -9.194 7.066 103 HB3 PHE 14 HB3 PHE 14 12.290 -10.284 8.401 104 HD1 PHE 14 HD1 PHE 14 10.710 -9.445 9.822 105 HD2 PHE 14 HD2 PHE 14 13.555 -6.781 8.113 106 HE1 PHE 14 HE1 PHE 14 9.711 -7.579 11.076 107 HE2 PHE 14 HE2 PHE 14 12.562 -4.911 9.365 108 HZ PHE 14 HZ PHE 14 10.637 -5.308 10.850 109 H GLY 15 H GLY 15 14.943 -10.873 6.303 110 HA2 GLY 15 HA2 GLY 15 14.565 -13.507 7.274 111 HA3 GLY 15 HA3 GLY 15 15.412 -13.065 5.799 112 H ILE 16 H ILE 16 17.589 -11.776 6.504 113 HA ILE 16 HA ILE 16 19.326 -13.748 7.450 114 HB ILE 16 HB ILE 16 19.758 -10.760 7.346 115 HG12 ILE 16 HG12 ILE 16 19.198 -11.818 5.175 116 HG13 ILE 16 HG13 ILE 16 20.843 -11.192 5.212 117 HG21 ILE 16 HG21 ILE 16 21.459 -12.970 8.232 118 HG22 ILE 16 HG22 ILE 16 22.208 -11.914 7.035 119 HG23 ILE 16 HG23 ILE 16 21.591 -11.239 8.543 120 HD11 ILE 16 HD11 ILE 16 20.042 -14.071 5.564 121 HD12 ILE 16 HD12 ILE 16 20.746 -13.352 4.115 122 HD13 ILE 16 HD13 ILE 16 21.690 -13.445 5.602 123 H VAL 17 H VAL 17 18.133 -10.824 9.099 124 HA VAL 17 HA VAL 17 19.427 -11.199 11.536 125 HB VAL 17 HB VAL 17 16.726 -9.936 11.045 126 HG11 VAL 17 HG11 VAL 17 17.862 -8.662 13.193 127 HG12 VAL 17 HG12 VAL 17 16.603 -9.896 13.278 128 HG13 VAL 17 HG13 VAL 17 18.298 -10.348 13.468 129 HG21 VAL 17 HG21 VAL 17 19.078 -8.250 11.537 130 HG22 VAL 17 HG22 VAL 17 19.113 -9.144 10.017 131 HG23 VAL 17 HG23 VAL 17 17.768 -8.060 10.372 132 H MET 18 H MET 18 16.149 -12.213 10.577 133 HA MET 18 HA MET 18 15.375 -13.426 12.943 134 HB2 MET 18 HB2 MET 18 13.884 -13.039 11.008 135 HB3 MET 18 HB3 MET 18 14.702 -14.329 10.136 136 HG2 MET 18 HG2 MET 18 13.997 -15.902 11.925 137 HG3 MET 18 HG3 MET 18 13.062 -14.592 12.643 138 HE1 MET 18 HE1 MET 18 10.560 -13.774 9.736 139 HE2 MET 18 HE2 MET 18 10.622 -13.708 11.497 140 HE3 MET 18 HE3 MET 18 11.930 -13.008 10.541 141 H MET 19 H MET 19 16.998 -14.927 10.149 142 HA MET 19 HA MET 19 17.212 -17.504 11.206 143 HB2 MET 19 HB2 MET 19 17.683 -16.689 8.819 144 HB3 MET 19 HB3 MET 19 19.287 -16.269 9.407 145 HG2 MET 19 HG2 MET 19 18.268 -19.018 9.892 146 HG3 MET 19 HG3 MET 19 18.803 -18.583 8.271 147 HE1 MET 19 HE1 MET 19 20.279 -20.438 8.315 148 HE2 MET 19 HE2 MET 19 21.532 -19.337 7.742 149 HE3 MET 19 HE3 MET 19 21.886 -20.477 9.041 150 H THR 20 H THR 20 19.321 -14.695 11.535 151 HA THR 20 HA THR 20 21.469 -15.987 12.814 152 HB THR 20 HB THR 20 20.569 -13.112 13.086 153 HG1 THR 20 HG1 THR 20 21.944 -12.733 11.383 154 HG21 THR 20 HG21 THR 20 22.801 -14.621 14.239 155 HG22 THR 20 HG22 THR 20 22.116 -13.068 14.717 156 HG23 THR 20 HG23 THR 20 23.285 -13.148 13.400 157 H LEU 21 H LEU 21 18.673 -14.240 14.151 158 HA LEU 21 HA LEU 21 19.326 -14.544 16.856 159 HB2 LEU 21 HB2 LEU 21 16.618 -14.335 15.550 160 HB3 LEU 21 HB3 LEU 21 16.922 -14.154 17.276 161 HG LEU 21 HG LEU 21 18.254 -12.357 15.278 162 HD11 LEU 21 HD11 LEU 21 16.093 -10.972 16.371 163 HD12 LEU 21 HD12 LEU 21 15.433 -12.515 15.829 164 HD13 LEU 21 HD13 LEU 21 16.300 -11.481 14.695 165 HD21 LEU 21 HD21 LEU 21 17.564 -12.178 18.204 166 HD22 LEU 21 HD22 LEU 21 18.141 -10.809 17.253 167 HD23 LEU 21 HD23 LEU 21 19.167 -12.228 17.469 168 H ILE 22 H ILE 22 17.138 -16.496 14.830 169 HA ILE 22 HA ILE 22 16.530 -18.413 16.791 170 HB ILE 22 HB ILE 22 16.576 -18.778 13.793 171 HG12 ILE 22 HG12 ILE 22 15.156 -16.897 14.523 172 HG13 ILE 22 HG13 ILE 22 14.197 -18.225 13.879 173 HG21 ILE 22 HG21 ILE 22 15.180 -20.349 15.955 174 HG22 ILE 22 HG22 ILE 22 14.950 -20.575 14.222 175 HG23 ILE 22 HG23 ILE 22 16.521 -20.904 14.952 176 HD11 ILE 22 HD11 ILE 22 13.653 -18.936 16.141 177 HD12 ILE 22 HD12 ILE 22 14.630 -17.621 16.794 178 HD13 ILE 22 HD13 ILE 22 13.177 -17.262 15.862 179 H ASP 23 H ASP 23 19.123 -18.232 14.410 180 HA ASP 23 HA ASP 23 20.137 -20.827 14.702 181 HB2 ASP 23 HB2 ASP 23 20.919 -19.546 12.865 182 HB3 ASP 23 HB3 ASP 23 21.434 -18.223 13.909 183 H ILE 24 H ILE 24 21.135 -17.810 16.313 184 HA ILE 24 HA ILE 24 23.079 -18.973 17.975 185 HB ILE 24 HB ILE 24 21.430 -16.494 18.482 186 HG12 ILE 24 HG12 ILE 24 24.238 -16.615 17.399 187 HG13 ILE 24 HG13 ILE 24 22.838 -16.665 16.334 188 HG21 ILE 24 HG21 ILE 24 22.366 -16.739 20.525 189 HG22 ILE 24 HG22 ILE 24 23.663 -17.771 19.928 190 HG23 ILE 24 HG23 ILE 24 23.761 -16.023 19.719 191 HD11 ILE 24 HD11 ILE 24 22.879 -14.482 18.308 192 HD12 ILE 24 HD12 ILE 24 24.094 -14.410 17.032 193 HD13 ILE 24 HD13 ILE 24 22.382 -14.482 16.616 194 H TYR 25 H TYR 25 19.739 -17.993 18.761 195 HA TYR 25 HA TYR 25 19.659 -18.939 21.364 196 HB2 TYR 25 HB2 TYR 25 17.904 -17.608 19.915 197 HB3 TYR 25 HB3 TYR 25 17.234 -19.211 19.633 198 HD1 TYR 25 HD1 TYR 25 18.570 -17.313 22.572 199 HD2 TYR 25 HD2 TYR 25 15.458 -19.745 20.990 200 HE1 TYR 25 HE1 TYR 25 17.389 -17.192 24.725 201 HE2 TYR 25 HE2 TYR 25 14.267 -19.630 23.139 202 HH TYR 25 HH TYR 25 14.784 -19.212 25.510 203 H HIS 26 H HIS 26 19.083 -20.656 18.335 204 HA HIS 26 HA HIS 26 18.160 -23.070 19.466 205 HB2 HIS 26 HB2 HIS 26 17.870 -22.488 17.085 206 HB3 HIS 26 HB3 HIS 26 19.608 -22.641 16.843 207 HD1 HIS 26 HD1 HIS 26 20.533 -24.964 16.473 208 HD2 HIS 26 HD2 HIS 26 16.525 -24.970 17.569 209 HE1 HIS 26 HE1 HIS 26 19.748 -27.329 16.137 210 H ALA 27 H ALA 27 21.396 -22.116 18.325 211 HA ALA 27 HA ALA 27 22.728 -24.482 18.962 212 HB1 ALA 27 HB1 ALA 27 23.953 -21.737 19.119 213 HB2 ALA 27 HB2 ALA 27 24.751 -23.264 18.740 214 HB3 ALA 27 HB3 ALA 27 23.608 -22.559 17.597 215 H VAL 28 H VAL 28 22.373 -21.515 20.903 216 HA VAL 28 HA VAL 28 23.790 -22.386 23.150 217 HB VAL 28 HB VAL 28 21.453 -20.472 23.069 218 HG11 VAL 28 HG11 VAL 28 21.686 -20.867 25.316 219 HG12 VAL 28 HG12 VAL 28 23.409 -21.226 25.186 220 HG13 VAL 28 HG13 VAL 28 22.846 -19.557 25.097 221 HG21 VAL 28 HG21 VAL 28 22.837 -19.214 21.847 222 HG22 VAL 28 HG22 VAL 28 23.769 -19.006 23.329 223 HG23 VAL 28 HG23 VAL 28 24.216 -20.263 22.176 224 H ASP 29 H ASP 29 20.350 -22.664 22.349 225 HA ASP 29 HA ASP 29 19.546 -23.832 24.791 226 HB2 ASP 29 HB2 ASP 29 18.351 -23.789 22.029 227 HB3 ASP 29 HB3 ASP 29 17.591 -24.682 23.342 228 H SER 30 H SER 30 20.722 -25.192 21.762 229 HA SER 30 HA SER 30 20.207 -27.906 22.449 230 HB2 SER 30 HB2 SER 30 20.482 -27.148 20.112 231 HB3 SER 30 HB3 SER 30 22.177 -26.787 20.439 232 HG SER 30 HG SER 30 21.058 -29.129 19.781 233 H THR 31 H THR 31 22.954 -25.747 22.832 234 HA THR 31 HA THR 31 24.743 -27.798 23.741 235 HB THR 31 HB THR 31 26.115 -25.761 24.520 236 HG1 THR 31 HG1 THR 31 24.462 -24.294 22.773 237 HG21 THR 31 HG21 THR 31 25.810 -27.010 22.043 238 HG22 THR 31 HG22 THR 31 27.166 -26.011 22.567 239 HG23 THR 31 HG23 THR 31 25.825 -25.284 21.684 240 H MET 32 H MET 32 22.615 -25.439 25.250 241 HA MET 32 HA MET 32 23.575 -25.919 27.908 242 HB2 MET 32 HB2 MET 32 22.582 -23.780 27.391 243 HB3 MET 32 HB3 MET 32 21.086 -24.550 26.879 244 HG2 MET 32 HG2 MET 32 20.727 -25.337 29.178 245 HG3 MET 32 HG3 MET 32 22.200 -24.506 29.674 246 HE1 MET 32 HE1 MET 32 18.869 -23.064 31.034 247 HE2 MET 32 HE2 MET 32 18.119 -23.493 29.496 248 HE3 MET 32 HE3 MET 32 19.148 -24.658 30.332 249 H SER 33 H SER 33 20.876 -27.064 25.948 250 HA SER 33 HA SER 33 20.446 -29.202 27.912 251 HB2 SER 33 HB2 SER 33 17.988 -28.999 27.573 252 HB3 SER 33 HB3 SER 33 18.692 -27.579 28.346 253 HG SER 33 HG SER 33 17.175 -27.500 26.311 254 HA PRO 34 HA PRO 34 20.883 -30.728 23.524 255 HB2 PRO 34 HB2 PRO 34 22.791 -32.574 24.091 256 HB3 PRO 34 HB3 PRO 34 23.169 -30.894 23.692 257 HG2 PRO 34 HG2 PRO 34 23.007 -32.214 26.374 258 HG3 PRO 34 HG3 PRO 34 24.210 -31.062 25.764 259 HD2 PRO 34 HD2 PRO 34 22.177 -30.320 27.392 260 HD3 PRO 34 HD3 PRO 34 22.849 -29.243 26.151 261 H LYS 35 H LYS 35 21.029 -33.240 22.962 262 HA LYS 35 HA LYS 35 18.739 -34.429 24.264 263 HB2 LYS 35 HB2 LYS 35 20.451 -35.511 22.019 264 HB3 LYS 35 HB3 LYS 35 18.883 -36.129 22.520 265 HG2 LYS 35 HG2 LYS 35 19.234 -33.306 21.574 266 HG3 LYS 35 HG3 LYS 35 18.968 -34.643 20.453 267 HD2 LYS 35 HD2 LYS 35 16.839 -35.104 21.344 268 HD3 LYS 35 HD3 LYS 35 17.144 -34.135 22.788 269 HE2 LYS 35 HE2 LYS 35 15.663 -32.912 21.355 270 HE3 LYS 35 HE3 LYS 35 17.236 -32.117 21.335 271 HZ1 LYS 35 HZ1 LYS 35 17.441 -32.468 19.163 272 HZ2 LYS 35 HZ2 LYS 35 15.803 -32.889 19.151 273 HZ3 LYS 35 HZ3 LYS 35 16.984 -34.093 19.282 274 H ASN 36 H ASN 36 18.701 -36.260 25.502 275 HA ASN 36 HA ASN 36 21.110 -36.940 26.887 276 HB2 ASN 36 HB2 ASN 36 18.241 -37.756 27.058 277 HB3 ASN 36 HB3 ASN 36 19.451 -38.784 27.820 278 HD21 ASN 36 HD21 ASN 36 17.303 -37.059 28.923 279 HD22 ASN 36 HD22 ASN 36 18.096 -36.026 30.059 280 H ARG 37 H ARG 37 22.616 -38.181 25.988 281 HA ARG 37 HA ARG 37 21.852 -40.767 24.898 282 HB2 ARG 37 HB2 ARG 37 21.939 -39.080 22.998 283 HB3 ARG 37 HB3 ARG 37 23.666 -38.958 23.307 284 HG2 ARG 37 HG2 ARG 37 23.461 -40.483 21.546 285 HG3 ARG 37 HG3 ARG 37 23.750 -41.474 22.977 286 HD2 ARG 37 HD2 ARG 37 22.004 -42.512 21.735 287 HD3 ARG 37 HD3 ARG 37 21.271 -41.775 23.159 288 HE ARG 37 HE ARG 37 21.100 -39.907 21.124 289 HH11 ARG 37 HH11 ARG 37 19.927 -43.121 21.769 290 HH12 ARG 37 HH12 ARG 37 18.487 -42.925 20.826 291 HH21 ARG 37 HH21 ARG 37 19.208 -39.637 19.880 292 HH22 ARG 37 HH22 ARG 37 18.079 -40.943 19.751 293 H LEU 38 H LEU 38 23.179 -42.283 25.648 294 HA LEU 38 HA LEU 38 25.889 -41.484 26.485 295 HB2 LEU 38 HB2 LEU 38 24.049 -42.090 28.259 296 HB3 LEU 38 HB3 LEU 38 24.462 -43.743 27.808 297 HG LEU 38 HG LEU 38 26.795 -43.320 28.468 298 HD11 LEU 38 HD11 LEU 38 27.102 -41.019 28.140 299 HD12 LEU 38 HD12 LEU 38 27.160 -41.240 29.889 300 HD13 LEU 38 HD13 LEU 38 25.702 -40.603 29.129 301 HD21 LEU 38 HD21 LEU 38 25.024 -42.517 30.751 302 HD22 LEU 38 HD22 LEU 38 26.442 -43.565 30.760 303 HD23 LEU 38 HD23 LEU 38 24.932 -44.130 30.043 304 H GLU 39 H GLU 39 27.521 -43.122 26.354 305 HA GLU 39 HA GLU 39 27.105 -44.890 24.087 306 HB2 GLU 39 HB2 GLU 39 29.153 -43.390 24.439 307 HB3 GLU 39 HB3 GLU 39 29.660 -44.562 25.648 308 HG2 GLU 39 HG2 GLU 39 29.392 -46.303 23.784 309 HG3 GLU 39 HG3 GLU 39 29.376 -44.920 22.691 Start of MODEL 6 1 H1 MET 1 H MET 1 0.286 -4.440 -4.363 2 HA MET 1 HA MET 1 1.997 -2.828 -5.117 3 HB2 MET 1 HB2 MET 1 1.125 -0.826 -4.025 4 HB3 MET 1 HB3 MET 1 -0.183 -1.927 -4.437 5 HG2 MET 1 HG2 MET 1 0.993 -2.105 -1.718 6 HG3 MET 1 HG3 MET 1 -0.048 -0.734 -2.093 7 HE1 MET 1 HE1 MET 1 -1.570 -1.062 -0.473 8 HE2 MET 1 HE2 MET 1 -2.965 -2.138 -0.560 9 HE3 MET 1 HE3 MET 1 -1.501 -2.657 0.277 10 H ILE 2 H ILE 2 3.521 -4.568 -3.578 11 HA ILE 2 HA ILE 2 4.780 -2.986 -1.482 12 HB ILE 2 HB ILE 2 5.546 -5.740 -2.453 13 HG12 ILE 2 HG12 ILE 2 3.242 -5.769 -1.661 14 HG13 ILE 2 HG13 ILE 2 4.286 -6.570 -0.491 15 HG21 ILE 2 HG21 ILE 2 7.360 -4.904 -1.258 16 HG22 ILE 2 HG22 ILE 2 6.331 -4.054 -0.105 17 HG23 ILE 2 HG23 ILE 2 6.455 -5.812 -0.047 18 HD11 ILE 2 HD11 ILE 2 2.755 -5.237 0.721 19 HD12 ILE 2 HD12 ILE 2 4.318 -4.422 0.797 20 HD13 ILE 2 HD13 ILE 2 3.068 -3.833 -0.299 21 H SER 3 H SER 3 6.904 -2.279 -1.521 22 HA SER 3 HA SER 3 7.985 -1.826 -4.180 23 HB2 SER 3 HB2 SER 3 7.801 -0.043 -2.345 24 HB3 SER 3 HB3 SER 3 9.176 -0.846 -1.588 25 HG SER 3 HG SER 3 9.703 0.926 -3.042 26 H ASP 4 H ASP 4 9.979 -2.504 -4.902 27 HA ASP 4 HA ASP 4 10.911 -4.996 -3.987 28 HB2 ASP 4 HB2 ASP 4 11.223 -4.340 -6.294 29 HB3 ASP 4 HB3 ASP 4 12.207 -2.961 -5.810 30 H GLU 5 H GLU 5 11.985 -1.702 -3.379 31 HA GLU 5 HA GLU 5 14.431 -2.328 -2.128 32 HB2 GLU 5 HB2 GLU 5 13.381 -0.035 -2.930 33 HB3 GLU 5 HB3 GLU 5 12.848 0.049 -1.257 34 HG2 GLU 5 HG2 GLU 5 15.165 -0.190 -0.511 35 HG3 GLU 5 HG3 GLU 5 15.694 -0.252 -2.191 36 H GLN 6 H GLN 6 11.251 -1.557 -0.715 37 HA GLN 6 HA GLN 6 11.995 -2.007 1.957 38 HB2 GLN 6 HB2 GLN 6 9.370 -1.939 0.509 39 HB3 GLN 6 HB3 GLN 6 9.432 -2.418 2.200 40 HG2 GLN 6 HG2 GLN 6 8.919 -0.099 2.106 41 HG3 GLN 6 HG3 GLN 6 10.568 -0.268 2.705 42 HE21 GLN 6 HE21 GLN 6 12.265 0.466 1.478 43 HE22 GLN 6 HE22 GLN 6 12.055 1.436 0.064 44 H LEU 7 H LEU 7 10.498 -4.145 -0.444 45 HA LEU 7 HA LEU 7 10.101 -6.363 1.210 46 HB2 LEU 7 HB2 LEU 7 9.120 -6.149 -1.013 47 HB3 LEU 7 HB3 LEU 7 10.720 -6.280 -1.740 48 HG LEU 7 HG LEU 7 9.743 -8.519 -0.034 49 HD11 LEU 7 HD11 LEU 7 9.062 -8.671 -2.897 50 HD12 LEU 7 HD12 LEU 7 8.042 -7.623 -1.911 51 HD13 LEU 7 HD13 LEU 7 8.224 -9.326 -1.490 52 HD21 LEU 7 HD21 LEU 7 11.744 -8.031 -2.141 53 HD22 LEU 7 HD22 LEU 7 10.921 -9.590 -2.209 54 HD23 LEU 7 HD23 LEU 7 11.796 -9.116 -0.751 55 H ASN 8 H ASN 8 12.849 -5.584 -0.915 56 HA ASN 8 HA ASN 8 14.393 -7.842 -0.348 57 HB2 ASN 8 HB2 ASN 8 14.846 -6.249 -2.199 58 HB3 ASN 8 HB3 ASN 8 15.391 -5.064 -1.015 59 HD21 ASN 8 HD21 ASN 8 16.413 -7.293 -3.159 60 HD22 ASN 8 HD22 ASN 8 17.955 -7.679 -2.481 61 H SER 9 H SER 9 14.472 -4.615 1.149 62 HA SER 9 HA SER 9 16.507 -5.102 2.991 63 HB2 SER 9 HB2 SER 9 15.233 -2.896 2.375 64 HB3 SER 9 HB3 SER 9 14.179 -3.352 3.713 65 HG SER 9 HG SER 9 16.983 -2.925 3.808 66 H LEU 10 H LEU 10 13.008 -5.585 3.285 67 HA LEU 10 HA LEU 10 13.021 -6.408 5.983 68 HB2 LEU 10 HB2 LEU 10 11.075 -5.743 4.344 69 HB3 LEU 10 HB3 LEU 10 11.019 -7.480 4.053 70 HG LEU 10 HG LEU 10 10.763 -7.730 6.578 71 HD11 LEU 10 HD11 LEU 10 9.554 -5.577 7.460 72 HD12 LEU 10 HD12 LEU 10 10.571 -4.774 6.264 73 HD13 LEU 10 HD13 LEU 10 11.309 -5.729 7.550 74 HD21 LEU 10 HD21 LEU 10 8.793 -8.249 5.623 75 HD22 LEU 10 HD22 LEU 10 8.799 -6.824 4.584 76 HD23 LEU 10 HD23 LEU 10 8.289 -6.687 6.268 77 H ALA 11 H ALA 11 13.449 -8.144 2.957 78 HA ALA 11 HA ALA 11 13.254 -10.762 3.998 79 HB1 ALA 11 HB1 ALA 11 13.118 -10.883 1.746 80 HB2 ALA 11 HB2 ALA 11 14.220 -9.529 1.496 81 HB3 ALA 11 HB3 ALA 11 14.859 -11.127 1.879 82 H ILE 12 H ILE 12 16.126 -8.801 3.199 83 HA ILE 12 HA ILE 12 18.019 -10.622 4.189 84 HB ILE 12 HB ILE 12 18.689 -8.821 2.716 85 HG12 ILE 12 HG12 ILE 12 20.661 -7.991 3.961 86 HG13 ILE 12 HG13 ILE 12 19.933 -8.553 5.462 87 HG21 ILE 12 HG21 ILE 12 18.073 -6.933 4.984 88 HG22 ILE 12 HG22 ILE 12 18.710 -6.505 3.397 89 HG23 ILE 12 HG23 ILE 12 17.074 -7.146 3.547 90 HD11 ILE 12 HD11 ILE 12 20.300 -10.515 3.269 91 HD12 ILE 12 HD12 ILE 12 21.720 -9.982 4.170 92 HD13 ILE 12 HD13 ILE 12 20.371 -10.739 5.017 93 H THR 13 H THR 13 16.267 -7.987 5.742 94 HA THR 13 HA THR 13 17.690 -7.940 8.164 95 HB THR 13 HB THR 13 14.794 -7.244 7.642 96 HG1 THR 13 HG1 THR 13 15.736 -5.078 7.681 97 HG21 THR 13 HG21 THR 13 16.413 -7.238 10.087 98 HG22 THR 13 HG22 THR 13 14.662 -7.187 9.888 99 HG23 THR 13 HG23 THR 13 15.609 -5.707 9.748 100 H PHE 14 H PHE 14 14.645 -9.595 7.332 101 HA PHE 14 HA PHE 14 14.291 -10.881 9.796 102 HB2 PHE 14 HB2 PHE 14 13.271 -11.326 7.024 103 HB3 PHE 14 HB3 PHE 14 13.012 -12.586 8.226 104 HD1 PHE 14 HD1 PHE 14 10.807 -12.540 8.872 105 HD2 PHE 14 HD2 PHE 14 12.915 -8.866 8.447 106 HE1 PHE 14 HE1 PHE 14 8.848 -11.321 9.725 107 HE2 PHE 14 HE2 PHE 14 10.959 -7.642 9.301 108 HZ PHE 14 HZ PHE 14 8.921 -8.869 9.940 109 H GLY 15 H GLY 15 15.962 -11.921 6.850 110 HA2 GLY 15 HA2 GLY 15 16.542 -14.548 7.618 111 HA3 GLY 15 HA3 GLY 15 17.486 -13.596 6.483 112 H ILE 16 H ILE 16 18.636 -11.674 7.889 113 HA ILE 16 HA ILE 16 20.743 -12.933 9.218 114 HB ILE 16 HB ILE 16 19.859 -10.053 9.432 115 HG12 ILE 16 HG12 ILE 16 22.065 -11.202 7.724 116 HG13 ILE 16 HG13 ILE 16 20.419 -11.004 7.132 117 HG21 ILE 16 HG21 ILE 16 21.370 -9.971 11.080 118 HG22 ILE 16 HG22 ILE 16 22.054 -11.540 10.657 119 HG23 ILE 16 HG23 ILE 16 22.569 -10.092 9.793 120 HD11 ILE 16 HD11 ILE 16 22.093 -8.757 8.219 121 HD12 ILE 16 HD12 ILE 16 21.973 -9.171 6.508 122 HD13 ILE 16 HD13 ILE 16 20.541 -8.638 7.389 123 H VAL 17 H VAL 17 18.066 -11.023 10.594 124 HA VAL 17 HA VAL 17 18.705 -11.291 13.277 125 HB VAL 17 HB VAL 17 15.947 -11.179 12.047 126 HG11 VAL 17 HG11 VAL 17 15.254 -11.591 14.132 127 HG12 VAL 17 HG12 VAL 17 16.864 -11.342 14.812 128 HG13 VAL 17 HG13 VAL 17 15.813 -9.960 14.501 129 HG21 VAL 17 HG21 VAL 17 17.953 -9.301 11.925 130 HG22 VAL 17 HG22 VAL 17 16.228 -8.982 11.743 131 HG23 VAL 17 HG23 VAL 17 17.001 -8.777 13.314 132 H MET 18 H MET 18 16.953 -13.501 11.158 133 HA MET 18 HA MET 18 16.166 -15.306 13.209 134 HB2 MET 18 HB2 MET 18 15.243 -15.038 10.798 135 HB3 MET 18 HB3 MET 18 16.559 -16.113 10.343 136 HG2 MET 18 HG2 MET 18 15.704 -17.795 11.913 137 HG3 MET 18 HG3 MET 18 14.363 -16.722 12.307 138 HE1 MET 18 HE1 MET 18 14.680 -19.609 8.862 139 HE2 MET 18 HE2 MET 18 16.111 -18.681 9.310 140 HE3 MET 18 HE3 MET 18 15.316 -19.708 10.504 141 H MET 19 H MET 19 18.956 -15.083 11.072 142 HA MET 19 HA MET 19 20.055 -17.617 11.696 143 HB2 MET 19 HB2 MET 19 20.636 -16.091 9.731 144 HB3 MET 19 HB3 MET 19 21.643 -15.196 10.861 145 HG2 MET 19 HG2 MET 19 22.861 -17.316 11.341 146 HG3 MET 19 HG3 MET 19 21.938 -18.073 10.044 147 HE1 MET 19 HE1 MET 19 24.263 -15.597 11.268 148 HE2 MET 19 HE2 MET 19 25.631 -16.036 10.244 149 HE3 MET 19 HE3 MET 19 24.703 -14.576 9.898 150 H THR 20 H THR 20 20.505 -14.387 13.057 151 HA THR 20 HA THR 20 22.555 -15.184 14.884 152 HB THR 20 HB THR 20 22.411 -12.862 14.170 153 HG1 THR 20 HG1 THR 20 23.062 -12.217 16.089 154 HG21 THR 20 HG21 THR 20 19.976 -12.719 13.901 155 HG22 THR 20 HG22 THR 20 20.590 -11.410 14.911 156 HG23 THR 20 HG23 THR 20 19.780 -12.790 15.652 157 H LEU 21 H LEU 21 19.058 -14.865 15.034 158 HA LEU 21 HA LEU 21 18.807 -15.125 17.842 159 HB2 LEU 21 HB2 LEU 21 16.930 -15.545 15.541 160 HB3 LEU 21 HB3 LEU 21 16.440 -15.890 17.198 161 HG LEU 21 HG LEU 21 17.474 -13.190 16.378 162 HD11 LEU 21 HD11 LEU 21 14.593 -14.075 16.406 163 HD12 LEU 21 HD12 LEU 21 15.550 -13.795 14.952 164 HD13 LEU 21 HD13 LEU 21 15.203 -12.459 16.049 165 HD21 LEU 21 HD21 LEU 21 16.906 -14.310 18.834 166 HD22 LEU 21 HD22 LEU 21 15.450 -13.389 18.454 167 HD23 LEU 21 HD23 LEU 21 17.021 -12.587 18.476 168 H ILE 22 H ILE 22 18.558 -17.478 15.192 169 HA ILE 22 HA ILE 22 18.077 -19.703 16.902 170 HB ILE 22 HB ILE 22 19.063 -19.627 14.049 171 HG12 ILE 22 HG12 ILE 22 16.817 -18.643 14.422 172 HG13 ILE 22 HG13 ILE 22 16.757 -20.109 13.450 173 HG21 ILE 22 HG21 ILE 22 17.814 -22.036 14.406 174 HG22 ILE 22 HG22 ILE 22 19.558 -21.779 14.400 175 HG23 ILE 22 HG23 ILE 22 18.679 -21.826 15.928 176 HD11 ILE 22 HD11 ILE 22 16.094 -21.371 15.456 177 HD12 ILE 22 HD12 ILE 22 16.073 -19.862 16.367 178 HD13 ILE 22 HD13 ILE 22 14.949 -20.100 15.030 179 H ASP 23 H ASP 23 20.961 -18.375 15.343 180 HA ASP 23 HA ASP 23 22.753 -20.418 16.021 181 HB2 ASP 23 HB2 ASP 23 23.438 -18.806 14.406 182 HB3 ASP 23 HB3 ASP 23 23.162 -17.470 15.521 183 H ILE 24 H ILE 24 22.078 -17.350 17.702 184 HA ILE 24 HA ILE 24 23.775 -17.868 19.899 185 HB ILE 24 HB ILE 24 21.359 -16.062 19.742 186 HG12 ILE 24 HG12 ILE 24 24.260 -15.262 19.589 187 HG13 ILE 24 HG13 ILE 24 23.342 -15.691 18.150 188 HG21 ILE 24 HG21 ILE 24 21.627 -16.055 21.982 189 HG22 ILE 24 HG22 ILE 24 23.284 -16.650 21.893 190 HG23 ILE 24 HG23 ILE 24 22.944 -14.943 21.609 191 HD11 ILE 24 HD11 ILE 24 23.446 -13.272 18.525 192 HD12 ILE 24 HD12 ILE 24 21.793 -13.887 18.565 193 HD13 ILE 24 HD13 ILE 24 22.622 -13.489 20.069 194 H TYR 25 H TYR 25 20.242 -18.161 19.552 195 HA TYR 25 HA TYR 25 19.679 -19.113 22.103 196 HB2 TYR 25 HB2 TYR 25 17.949 -18.395 20.512 197 HB3 TYR 25 HB3 TYR 25 18.278 -19.805 19.511 198 HD1 TYR 25 HD1 TYR 25 16.801 -18.630 22.661 199 HD2 TYR 25 HD2 TYR 25 17.479 -21.993 20.144 200 HE1 TYR 25 HE1 TYR 25 15.149 -19.920 23.949 201 HE2 TYR 25 HE2 TYR 25 15.828 -23.291 21.424 202 HH TYR 25 HH TYR 25 14.917 -23.080 23.998 203 H HIS 26 H HIS 26 20.612 -20.877 19.182 204 HA HIS 26 HA HIS 26 20.304 -23.474 20.234 205 HB2 HIS 26 HB2 HIS 26 20.467 -23.193 17.858 206 HB3 HIS 26 HB3 HIS 26 22.037 -22.409 18.001 207 HD1 HIS 26 HD1 HIS 26 23.128 -24.171 16.455 208 HD2 HIS 26 HD2 HIS 26 21.473 -25.744 19.926 209 HE1 HIS 26 HE1 HIS 26 24.015 -26.519 16.618 210 H ALA 27 H ALA 27 23.225 -21.467 19.860 211 HA ALA 27 HA ALA 27 25.018 -23.226 21.083 212 HB1 ALA 27 HB1 ALA 27 25.007 -20.421 20.286 213 HB2 ALA 27 HB2 ALA 27 26.031 -20.749 21.685 214 HB3 ALA 27 HB3 ALA 27 26.290 -21.628 20.178 215 H VAL 28 H VAL 28 23.276 -20.456 22.499 216 HA VAL 28 HA VAL 28 24.215 -20.763 25.117 217 HB VAL 28 HB VAL 28 21.552 -19.650 24.220 218 HG11 VAL 28 HG11 VAL 28 21.149 -19.688 26.433 219 HG12 VAL 28 HG12 VAL 28 22.853 -19.888 26.845 220 HG13 VAL 28 HG13 VAL 28 22.219 -18.287 26.465 221 HG21 VAL 28 HG21 VAL 28 22.657 -17.892 23.435 222 HG22 VAL 28 HG22 VAL 28 23.454 -17.665 24.992 223 HG23 VAL 28 HG23 VAL 28 24.180 -18.715 23.775 224 H ASP 29 H ASP 29 21.533 -22.277 23.424 225 HA ASP 29 HA ASP 29 20.398 -23.493 25.748 226 HB2 ASP 29 HB2 ASP 29 18.902 -23.192 23.951 227 HB3 ASP 29 HB3 ASP 29 20.025 -23.894 22.788 228 H SER 30 H SER 30 22.774 -24.435 23.349 229 HA SER 30 HA SER 30 22.877 -27.184 24.115 230 HB2 SER 30 HB2 SER 30 24.506 -27.424 22.490 231 HB3 SER 30 HB3 SER 30 23.681 -25.978 21.908 232 HG SER 30 HG SER 30 26.098 -25.973 22.107 233 H THR 31 H THR 31 24.630 -24.276 25.021 234 HA THR 31 HA THR 31 26.583 -25.676 26.599 235 HB THR 31 HB THR 31 27.135 -23.515 25.580 236 HG1 THR 31 HG1 THR 31 28.319 -22.914 27.285 237 HG21 THR 31 HG21 THR 31 26.175 -21.446 26.380 238 HG22 THR 31 HG22 THR 31 25.172 -22.320 27.538 239 HG23 THR 31 HG23 THR 31 24.881 -22.499 25.809 240 H MET 32 H MET 32 23.540 -24.014 27.192 241 HA MET 32 HA MET 32 23.779 -24.162 30.055 242 HB2 MET 32 HB2 MET 32 21.771 -23.008 30.150 243 HB3 MET 32 HB3 MET 32 22.428 -22.464 28.612 244 HG2 MET 32 HG2 MET 32 21.038 -24.185 27.481 245 HG3 MET 32 HG3 MET 32 20.305 -24.550 29.041 246 HE1 MET 32 HE1 MET 32 17.775 -22.683 29.726 247 HE2 MET 32 HE2 MET 32 17.308 -23.132 28.086 248 HE3 MET 32 HE3 MET 32 18.278 -24.237 29.060 249 H SER 33 H SER 33 22.329 -26.072 27.509 250 HA SER 33 HA SER 33 21.771 -28.176 29.464 251 HB2 SER 33 HB2 SER 33 19.559 -28.607 28.576 252 HB3 SER 33 HB3 SER 33 19.650 -26.917 29.072 253 HG SER 33 HG SER 33 18.700 -27.398 26.932 254 HA PRO 34 HA PRO 34 23.917 -29.609 25.572 255 HB2 PRO 34 HB2 PRO 34 25.962 -30.851 26.854 256 HB3 PRO 34 HB3 PRO 34 26.004 -29.141 26.411 257 HG2 PRO 34 HG2 PRO 34 25.368 -30.398 29.052 258 HG3 PRO 34 HG3 PRO 34 26.366 -28.975 28.702 259 HD2 PRO 34 HD2 PRO 34 23.813 -28.783 29.585 260 HD3 PRO 34 HD3 PRO 34 24.537 -27.589 28.488 261 H LYS 35 H LYS 35 22.809 -31.301 24.817 262 HA LYS 35 HA LYS 35 23.044 -33.867 26.122 263 HB2 LYS 35 HB2 LYS 35 20.978 -32.588 27.061 264 HB3 LYS 35 HB3 LYS 35 20.248 -32.967 25.506 265 HG2 LYS 35 HG2 LYS 35 21.039 -35.403 26.096 266 HG3 LYS 35 HG3 LYS 35 20.994 -34.774 27.745 267 HD2 LYS 35 HD2 LYS 35 18.662 -34.289 25.952 268 HD3 LYS 35 HD3 LYS 35 18.872 -35.890 26.664 269 HE2 LYS 35 HE2 LYS 35 18.887 -33.349 28.278 270 HE3 LYS 35 HE3 LYS 35 17.427 -34.286 27.969 271 HZ1 LYS 35 HZ1 LYS 35 18.917 -36.213 28.892 272 HZ2 LYS 35 HZ2 LYS 35 18.084 -35.180 29.941 273 HZ3 LYS 35 HZ3 LYS 35 19.733 -34.940 29.651 274 H ASN 36 H ASN 36 22.649 -35.608 24.740 275 HA ASN 36 HA ASN 36 23.006 -35.062 21.970 276 HB2 ASN 36 HB2 ASN 36 23.103 -37.435 21.675 277 HB3 ASN 36 HB3 ASN 36 23.907 -37.071 23.199 278 HD21 ASN 36 HD21 ASN 36 22.628 -39.531 22.229 279 HD22 ASN 36 HD22 ASN 36 21.444 -39.940 23.420 280 H ARG 37 H ARG 37 21.620 -35.900 20.241 281 HA ARG 37 HA ARG 37 18.774 -36.025 20.954 282 HB2 ARG 37 HB2 ARG 37 18.324 -34.625 18.885 283 HB3 ARG 37 HB3 ARG 37 19.008 -33.774 20.263 284 HG2 ARG 37 HG2 ARG 37 21.247 -33.983 19.206 285 HG3 ARG 37 HG3 ARG 37 20.459 -34.676 17.787 286 HD2 ARG 37 HD2 ARG 37 19.621 -32.020 18.898 287 HD3 ARG 37 HD3 ARG 37 20.983 -32.158 17.787 288 HE ARG 37 HE ARG 37 18.219 -32.290 17.122 289 HH11 ARG 37 HH11 ARG 37 21.355 -33.532 16.260 290 HH12 ARG 37 HH12 ARG 37 20.921 -33.848 14.612 291 HH21 ARG 37 HH21 ARG 37 17.636 -32.701 14.956 292 HH22 ARG 37 HH22 ARG 37 18.806 -33.374 13.871 293 H LEU 38 H LEU 38 17.452 -37.161 19.479 294 HA LEU 38 HA LEU 38 18.957 -39.003 17.754 295 HB2 LEU 38 HB2 LEU 38 17.360 -39.700 19.724 296 HB3 LEU 38 HB3 LEU 38 16.109 -39.452 18.508 297 HG LEU 38 HG LEU 38 16.730 -41.799 18.667 298 HD11 LEU 38 HD11 LEU 38 17.823 -40.713 16.087 299 HD12 LEU 38 HD12 LEU 38 16.103 -40.703 16.476 300 HD13 LEU 38 HD13 LEU 38 16.972 -42.233 16.363 301 HD21 LEU 38 HD21 LEU 38 19.112 -41.266 19.388 302 HD22 LEU 38 HD22 LEU 38 19.469 -41.062 17.673 303 HD23 LEU 38 HD23 LEU 38 18.897 -42.619 18.277 304 H GLU 39 H GLU 39 15.714 -37.509 17.821 305 HA GLU 39 HA GLU 39 15.422 -37.733 14.981 306 HB2 GLU 39 HB2 GLU 39 13.320 -36.520 15.309 307 HB3 GLU 39 HB3 GLU 39 13.478 -37.839 16.460 308 HG2 GLU 39 HG2 GLU 39 13.954 -36.366 18.237 309 HG3 GLU 39 HG3 GLU 39 14.208 -35.009 17.141 Start of MODEL 7 1 H1 MET 1 H MET 1 0.247 -3.934 -3.726 2 HA MET 1 HA MET 1 1.946 -2.201 -3.994 3 HB2 MET 1 HB2 MET 1 1.569 -0.897 -1.927 4 HB3 MET 1 HB3 MET 1 0.079 -1.556 -2.590 5 HG2 MET 1 HG2 MET 1 0.448 -3.487 -0.933 6 HG3 MET 1 HG3 MET 1 1.581 -2.392 -0.144 7 HE1 MET 1 HE1 MET 1 0.381 0.405 -0.500 8 HE2 MET 1 HE2 MET 1 -0.713 0.597 0.870 9 HE3 MET 1 HE3 MET 1 0.871 -0.145 1.103 10 H ILE 2 H ILE 2 3.467 -4.535 -3.650 11 HA ILE 2 HA ILE 2 5.316 -3.938 -1.464 12 HB ILE 2 HB ILE 2 5.463 -6.257 -3.385 13 HG12 ILE 2 HG12 ILE 2 3.300 -6.328 -2.262 14 HG13 ILE 2 HG13 ILE 2 4.351 -7.585 -1.619 15 HG21 ILE 2 HG21 ILE 2 7.243 -5.309 -1.471 16 HG22 ILE 2 HG22 ILE 2 6.445 -6.680 -0.703 17 HG23 ILE 2 HG23 ILE 2 7.267 -6.891 -2.249 18 HD11 ILE 2 HD11 ILE 2 4.864 -5.561 0.099 19 HD12 ILE 2 HD12 ILE 2 3.174 -5.251 -0.302 20 HD13 ILE 2 HD13 ILE 2 3.651 -6.815 0.358 21 H SER 3 H SER 3 7.356 -3.209 -1.757 22 HA SER 3 HA SER 3 8.118 -2.496 -4.504 23 HB2 SER 3 HB2 SER 3 7.875 -0.680 -2.746 24 HB3 SER 3 HB3 SER 3 9.293 -1.372 -1.957 25 HG SER 3 HG SER 3 9.116 -0.216 -4.536 26 H ASP 4 H ASP 4 10.365 -2.675 -5.117 27 HA ASP 4 HA ASP 4 11.482 -5.189 -4.389 28 HB2 ASP 4 HB2 ASP 4 12.723 -2.948 -6.000 29 HB3 ASP 4 HB3 ASP 4 13.280 -4.618 -5.947 30 H GLU 5 H GLU 5 12.179 -1.851 -3.544 31 HA GLU 5 HA GLU 5 14.660 -2.347 -2.261 32 HB2 GLU 5 HB2 GLU 5 14.205 -0.114 -2.936 33 HB3 GLU 5 HB3 GLU 5 12.671 -0.090 -2.076 34 HG2 GLU 5 HG2 GLU 5 13.624 0.540 -0.167 35 HG3 GLU 5 HG3 GLU 5 14.937 -0.624 -0.334 36 H GLN 6 H GLN 6 11.390 -1.801 -0.951 37 HA GLN 6 HA GLN 6 12.080 -2.289 1.736 38 HB2 GLN 6 HB2 GLN 6 9.775 -2.232 2.201 39 HB3 GLN 6 HB3 GLN 6 9.978 -1.161 0.821 40 HG2 GLN 6 HG2 GLN 6 8.173 -2.322 0.108 41 HG3 GLN 6 HG3 GLN 6 9.440 -3.377 -0.515 42 HE21 GLN 6 HE21 GLN 6 8.918 -5.416 -0.252 43 HE22 GLN 6 HE22 GLN 6 8.142 -6.104 1.129 44 H LEU 7 H LEU 7 11.139 -4.405 -0.888 45 HA LEU 7 HA LEU 7 10.594 -6.703 0.675 46 HB2 LEU 7 HB2 LEU 7 9.790 -6.533 -1.587 47 HB3 LEU 7 HB3 LEU 7 11.436 -6.404 -2.203 48 HG LEU 7 HG LEU 7 10.135 -8.643 -2.425 49 HD11 LEU 7 HD11 LEU 7 12.762 -7.962 -2.517 50 HD12 LEU 7 HD12 LEU 7 12.125 -9.562 -2.896 51 HD13 LEU 7 HD13 LEU 7 12.773 -9.229 -1.290 52 HD21 LEU 7 HD21 LEU 7 11.348 -9.306 0.201 53 HD22 LEU 7 HD22 LEU 7 9.966 -10.027 -0.625 54 HD23 LEU 7 HD23 LEU 7 9.791 -8.477 0.199 55 H ASN 8 H ASN 8 13.472 -5.771 -1.213 56 HA ASN 8 HA ASN 8 15.066 -7.951 -0.468 57 HB2 ASN 8 HB2 ASN 8 15.749 -6.629 -2.333 58 HB3 ASN 8 HB3 ASN 8 15.778 -5.158 -1.365 59 HD21 ASN 8 HD21 ASN 8 17.536 -7.825 -2.485 60 HD22 ASN 8 HD22 ASN 8 19.000 -7.531 -1.616 61 H SER 9 H SER 9 14.733 -4.728 0.970 62 HA SER 9 HA SER 9 16.715 -4.986 2.932 63 HB2 SER 9 HB2 SER 9 15.822 -2.812 2.488 64 HB3 SER 9 HB3 SER 9 14.180 -3.341 2.855 65 HG SER 9 HG SER 9 14.641 -2.602 4.771 66 H LEU 10 H LEU 10 13.235 -5.684 3.072 67 HA LEU 10 HA LEU 10 13.197 -6.507 5.770 68 HB2 LEU 10 HB2 LEU 10 11.388 -6.650 3.453 69 HB3 LEU 10 HB3 LEU 10 11.142 -7.892 4.679 70 HG LEU 10 HG LEU 10 9.685 -5.879 4.918 71 HD11 LEU 10 HD11 LEU 10 11.319 -7.162 6.939 72 HD12 LEU 10 HD12 LEU 10 9.604 -6.751 6.963 73 HD13 LEU 10 HD13 LEU 10 10.806 -5.545 7.423 74 HD21 LEU 10 HD21 LEU 10 11.797 -4.291 6.162 75 HD22 LEU 10 HD22 LEU 10 10.487 -3.798 5.088 76 HD23 LEU 10 HD23 LEU 10 11.976 -4.466 4.416 77 H ALA 11 H ALA 11 13.862 -8.200 2.770 78 HA ALA 11 HA ALA 11 13.729 -10.835 3.768 79 HB1 ALA 11 HB1 ALA 11 13.779 -10.974 1.523 80 HB2 ALA 11 HB2 ALA 11 14.762 -9.519 1.349 81 HB3 ALA 11 HB3 ALA 11 15.525 -11.054 1.762 82 H ILE 12 H ILE 12 16.553 -8.730 3.199 83 HA ILE 12 HA ILE 12 18.440 -10.488 4.334 84 HB ILE 12 HB ILE 12 19.131 -8.680 2.862 85 HG12 ILE 12 HG12 ILE 12 21.013 -7.787 4.221 86 HG13 ILE 12 HG13 ILE 12 20.228 -8.408 5.669 87 HG21 ILE 12 HG21 ILE 12 18.353 -6.802 5.088 88 HG22 ILE 12 HG22 ILE 12 19.081 -6.360 3.545 89 HG23 ILE 12 HG23 ILE 12 17.451 -7.031 3.590 90 HD11 ILE 12 HD11 ILE 12 21.993 -9.734 3.895 91 HD12 ILE 12 HD12 ILE 12 21.243 -10.344 5.370 92 HD13 ILE 12 HD13 ILE 12 20.425 -10.537 3.820 93 H THR 13 H THR 13 16.468 -7.913 5.704 94 HA THR 13 HA THR 13 17.730 -7.757 8.217 95 HB THR 13 HB THR 13 14.856 -7.168 7.483 96 HG1 THR 13 HG1 THR 13 16.593 -5.924 6.444 97 HG21 THR 13 HG21 THR 13 14.670 -7.206 9.758 98 HG22 THR 13 HG22 THR 13 15.305 -5.572 9.569 99 HG23 THR 13 HG23 THR 13 16.386 -6.892 10.012 100 H PHE 14 H PHE 14 14.805 -9.528 7.210 101 HA PHE 14 HA PHE 14 14.379 -10.794 9.691 102 HB2 PHE 14 HB2 PHE 14 12.805 -10.543 7.624 103 HB3 PHE 14 HB3 PHE 14 13.550 -12.047 7.094 104 HD1 PHE 14 HD1 PHE 14 12.504 -14.004 7.665 105 HD2 PHE 14 HD2 PHE 14 12.000 -10.594 10.162 106 HE1 PHE 14 HE1 PHE 14 10.943 -15.275 9.080 107 HE2 PHE 14 HE2 PHE 14 10.439 -11.860 11.581 108 HZ PHE 14 HZ PHE 14 9.908 -14.203 11.040 109 H GLY 15 H GLY 15 16.273 -11.676 6.862 110 HA2 GLY 15 HA2 GLY 15 16.794 -14.358 7.569 111 HA3 GLY 15 HA3 GLY 15 17.774 -13.373 6.493 112 H ILE 16 H ILE 16 18.725 -11.415 8.106 113 HA ILE 16 HA ILE 16 20.805 -12.735 9.497 114 HB ILE 16 HB ILE 16 19.986 -9.829 9.604 115 HG12 ILE 16 HG12 ILE 16 22.240 -11.072 8.029 116 HG13 ILE 16 HG13 ILE 16 20.632 -10.836 7.353 117 HG21 ILE 16 HG21 ILE 16 22.341 -9.475 10.345 118 HG22 ILE 16 HG22 ILE 16 21.334 -10.328 11.514 119 HG23 ILE 16 HG23 ILE 16 22.491 -11.223 10.529 120 HD11 ILE 16 HD11 ILE 16 20.830 -8.433 7.730 121 HD12 ILE 16 HD12 ILE 16 22.445 -8.675 8.397 122 HD13 ILE 16 HD13 ILE 16 22.126 -9.045 6.702 123 H VAL 17 H VAL 17 18.133 -10.695 10.689 124 HA VAL 17 HA VAL 17 18.604 -10.925 13.403 125 HB VAL 17 HB VAL 17 15.923 -10.776 12.018 126 HG11 VAL 17 HG11 VAL 17 16.722 -10.730 14.863 127 HG12 VAL 17 HG12 VAL 17 15.527 -9.535 14.357 128 HG13 VAL 17 HG13 VAL 17 15.214 -11.253 14.115 129 HG21 VAL 17 HG21 VAL 17 17.999 -8.944 12.016 130 HG22 VAL 17 HG22 VAL 17 16.307 -8.611 11.644 131 HG23 VAL 17 HG23 VAL 17 16.916 -8.362 13.280 132 H MET 18 H MET 18 16.471 -12.975 11.412 133 HA MET 18 HA MET 18 15.757 -14.759 13.456 134 HB2 MET 18 HB2 MET 18 14.571 -14.566 11.292 135 HB3 MET 18 HB3 MET 18 15.946 -15.311 10.489 136 HG2 MET 18 HG2 MET 18 15.550 -17.256 12.147 137 HG3 MET 18 HG3 MET 18 13.955 -16.534 12.344 138 HE1 MET 18 HE1 MET 18 13.031 -19.512 10.221 139 HE2 MET 18 HE2 MET 18 13.340 -18.895 11.844 140 HE3 MET 18 HE3 MET 18 12.073 -18.171 10.852 141 H MET 19 H MET 19 18.278 -15.022 10.954 142 HA MET 19 HA MET 19 19.283 -17.514 11.627 143 HB2 MET 19 HB2 MET 19 19.945 -16.215 9.626 144 HB3 MET 19 HB3 MET 19 20.866 -15.128 10.657 145 HG2 MET 19 HG2 MET 19 22.204 -17.122 11.388 146 HG3 MET 19 HG3 MET 19 21.390 -18.035 10.119 147 HE1 MET 19 HE1 MET 19 24.697 -15.956 10.735 148 HE2 MET 19 HE2 MET 19 24.380 -14.616 9.634 149 HE3 MET 19 HE3 MET 19 23.298 -14.914 10.995 150 H THR 20 H THR 20 20.076 -14.344 12.985 151 HA THR 20 HA THR 20 22.161 -15.234 14.675 152 HB THR 20 HB THR 20 20.368 -12.826 15.039 153 HG1 THR 20 HG1 THR 20 21.980 -11.737 13.877 154 HG21 THR 20 HG21 THR 20 21.469 -12.648 16.985 155 HG22 THR 20 HG22 THR 20 22.872 -12.214 16.008 156 HG23 THR 20 HG23 THR 20 22.644 -13.882 16.530 157 H LEU 21 H LEU 21 18.748 -14.476 15.374 158 HA LEU 21 HA LEU 21 18.717 -15.118 18.063 159 HB2 LEU 21 HB2 LEU 21 16.557 -15.495 15.996 160 HB3 LEU 21 HB3 LEU 21 16.299 -15.606 17.736 161 HG LEU 21 HG LEU 21 17.390 -13.107 16.484 162 HD11 LEU 21 HD11 LEU 21 14.474 -13.747 16.893 163 HD12 LEU 21 HD12 LEU 21 15.289 -13.706 15.330 164 HD13 LEU 21 HD13 LEU 21 15.155 -12.235 16.292 165 HD21 LEU 21 HD21 LEU 21 15.808 -13.632 18.998 166 HD22 LEU 21 HD22 LEU 21 16.439 -12.072 18.470 167 HD23 LEU 21 HD23 LEU 21 17.550 -13.368 18.915 168 H ILE 22 H ILE 22 17.981 -17.266 15.318 169 HA ILE 22 HA ILE 22 17.581 -19.589 16.855 170 HB ILE 22 HB ILE 22 18.500 -19.376 13.986 171 HG12 ILE 22 HG12 ILE 22 16.358 -18.226 14.444 172 HG13 ILE 22 HG13 ILE 22 16.146 -19.634 13.409 173 HG21 ILE 22 HG21 ILE 22 17.031 -21.688 14.254 174 HG22 ILE 22 HG22 ILE 22 18.788 -21.581 14.162 175 HG23 ILE 22 HG23 ILE 22 17.990 -21.645 15.733 176 HD11 ILE 22 HD11 ILE 22 15.625 -19.584 16.371 177 HD12 ILE 22 HD12 ILE 22 14.395 -19.418 15.118 178 HD13 ILE 22 HD13 ILE 22 15.309 -20.920 15.265 179 H ASP 23 H ASP 23 20.461 -18.259 15.293 180 HA ASP 23 HA ASP 23 22.189 -20.415 15.738 181 HB2 ASP 23 HB2 ASP 23 22.978 -18.779 14.253 182 HB3 ASP 23 HB3 ASP 23 22.630 -17.464 15.372 183 H ILE 24 H ILE 24 21.680 -17.484 17.695 184 HA ILE 24 HA ILE 24 23.449 -18.155 19.762 185 HB ILE 24 HB ILE 24 20.940 -16.482 19.933 186 HG12 ILE 24 HG12 ILE 24 23.769 -15.490 19.638 187 HG13 ILE 24 HG13 ILE 24 22.767 -15.851 18.237 188 HG21 ILE 24 HG21 ILE 24 22.756 -15.495 21.747 189 HG22 ILE 24 HG22 ILE 24 21.360 -16.503 22.124 190 HG23 ILE 24 HG23 ILE 24 22.946 -17.241 21.899 191 HD11 ILE 24 HD11 ILE 24 21.260 -14.135 18.737 192 HD12 ILE 24 HD12 ILE 24 21.870 -13.964 20.383 193 HD13 ILE 24 HD13 ILE 24 22.857 -13.442 19.019 194 H TYR 25 H TYR 25 19.896 -18.474 19.683 195 HA TYR 25 HA TYR 25 19.570 -19.768 22.110 196 HB2 TYR 25 HB2 TYR 25 17.833 -18.894 20.330 197 HB3 TYR 25 HB3 TYR 25 17.866 -20.568 19.785 198 HD1 TYR 25 HD1 TYR 25 17.319 -18.480 22.819 199 HD2 TYR 25 HD2 TYR 25 16.550 -22.173 20.852 200 HE1 TYR 25 HE1 TYR 25 15.715 -19.078 24.584 201 HE2 TYR 25 HE2 TYR 25 14.943 -22.782 22.612 202 HH TYR 25 HH TYR 25 14.115 -22.237 24.617 203 H HIS 26 H HIS 26 20.040 -21.208 18.892 204 HA HIS 26 HA HIS 26 19.911 -23.887 19.619 205 HB2 HIS 26 HB2 HIS 26 19.961 -23.089 17.284 206 HB3 HIS 26 HB3 HIS 26 21.655 -22.649 17.479 207 HD1 HIS 26 HD1 HIS 26 19.551 -25.349 16.365 208 HD2 HIS 26 HD2 HIS 26 23.313 -25.039 18.102 209 HE1 HIS 26 HE1 HIS 26 20.685 -27.546 15.908 210 H ALA 27 H ALA 27 22.784 -21.796 19.390 211 HA ALA 27 HA ALA 27 24.674 -23.683 20.205 212 HB1 ALA 27 HB1 ALA 27 25.143 -20.909 21.077 213 HB2 ALA 27 HB2 ALA 27 26.156 -21.987 20.116 214 HB3 ALA 27 HB3 ALA 27 24.813 -21.130 19.358 215 H VAL 28 H VAL 28 22.954 -21.244 22.153 216 HA VAL 28 HA VAL 28 24.053 -21.889 24.629 217 HB VAL 28 HB VAL 28 21.262 -20.879 24.060 218 HG11 VAL 28 HG11 VAL 28 21.276 -21.644 26.291 219 HG12 VAL 28 HG12 VAL 28 22.893 -21.002 26.583 220 HG13 VAL 28 HG13 VAL 28 21.529 -19.901 26.384 221 HG21 VAL 28 HG21 VAL 28 22.177 -18.928 23.525 222 HG22 VAL 28 HG22 VAL 28 23.067 -18.894 25.047 223 HG23 VAL 28 HG23 VAL 28 23.774 -19.670 23.630 224 H ASP 29 H ASP 29 21.363 -23.334 22.882 225 HA ASP 29 HA ASP 29 20.469 -24.976 25.032 226 HB2 ASP 29 HB2 ASP 29 19.098 -24.307 23.021 227 HB3 ASP 29 HB3 ASP 29 20.043 -25.458 22.080 228 H SER 30 H SER 30 22.727 -25.405 22.366 229 HA SER 30 HA SER 30 23.105 -28.194 22.706 230 HB2 SER 30 HB2 SER 30 24.833 -28.009 21.122 231 HB3 SER 30 HB3 SER 30 23.725 -26.709 20.684 232 HG SER 30 HG SER 30 26.300 -26.585 21.628 233 H THR 31 H THR 31 24.731 -25.348 24.006 234 HA THR 31 HA THR 31 26.771 -26.862 25.344 235 HB THR 31 HB THR 31 27.221 -24.563 24.646 236 HG1 THR 31 HG1 THR 31 28.527 -24.845 26.307 237 HG21 THR 31 HG21 THR 31 25.174 -23.760 26.718 238 HG22 THR 31 HG22 THR 31 24.946 -23.667 24.971 239 HG23 THR 31 HG23 THR 31 26.171 -22.670 25.755 240 H MET 32 H MET 32 23.667 -25.457 26.212 241 HA MET 32 HA MET 32 23.951 -25.914 29.020 242 HB2 MET 32 HB2 MET 32 22.456 -24.179 28.167 243 HB3 MET 32 HB3 MET 32 21.484 -25.397 27.352 244 HG2 MET 32 HG2 MET 32 20.374 -24.720 29.360 245 HG3 MET 32 HG3 MET 32 20.937 -26.380 29.545 246 HE1 MET 32 HE1 MET 32 20.326 -26.234 31.745 247 HE2 MET 32 HE2 MET 32 21.847 -26.648 32.536 248 HE3 MET 32 HE3 MET 32 20.966 -25.198 33.022 249 H SER 33 H SER 33 22.471 -27.655 26.334 250 HA SER 33 HA SER 33 22.311 -30.030 28.048 251 HB2 SER 33 HB2 SER 33 20.050 -28.979 27.908 252 HB3 SER 33 HB3 SER 33 20.101 -29.187 26.158 253 HG SER 33 HG SER 33 19.082 -30.971 26.864 254 HA PRO 34 HA PRO 34 24.363 -30.789 23.926 255 HB2 PRO 34 HB2 PRO 34 26.582 -31.959 24.964 256 HB3 PRO 34 HB3 PRO 34 26.437 -30.213 24.728 257 HG2 PRO 34 HG2 PRO 34 26.065 -31.824 27.223 258 HG3 PRO 34 HG3 PRO 34 26.903 -30.277 27.005 259 HD2 PRO 34 HD2 PRO 34 24.395 -30.445 28.010 260 HD3 PRO 34 HD3 PRO 34 24.942 -29.066 27.035 261 H LYS 35 H LYS 35 24.799 -32.834 22.933 262 HA LYS 35 HA LYS 35 24.245 -34.990 22.453 263 HB2 LYS 35 HB2 LYS 35 24.831 -35.487 25.374 264 HB3 LYS 35 HB3 LYS 35 24.925 -36.651 24.060 265 HG2 LYS 35 HG2 LYS 35 26.754 -35.285 23.068 266 HG3 LYS 35 HG3 LYS 35 26.715 -34.276 24.516 267 HD2 LYS 35 HD2 LYS 35 27.146 -36.325 25.870 268 HD3 LYS 35 HD3 LYS 35 27.348 -37.221 24.363 269 HE2 LYS 35 HE2 LYS 35 29.524 -36.639 25.073 270 HE3 LYS 35 HE3 LYS 35 29.133 -35.537 23.754 271 HZ1 LYS 35 HZ1 LYS 35 28.348 -34.009 25.667 272 HZ2 LYS 35 HZ2 LYS 35 30.001 -34.129 25.329 273 HZ3 LYS 35 HZ3 LYS 35 29.341 -34.979 26.634 274 H ASN 36 H ASN 36 22.006 -33.600 22.689 275 HA ASN 36 HA ASN 36 20.180 -35.507 23.937 276 HB2 ASN 36 HB2 ASN 36 20.674 -33.450 25.451 277 HB3 ASN 36 HB3 ASN 36 19.665 -32.570 24.307 278 HD21 ASN 36 HD21 ASN 36 19.704 -35.418 26.395 279 HD22 ASN 36 HD22 ASN 36 18.016 -35.389 26.763 280 H ARG 37 H ARG 37 18.098 -35.549 23.012 281 HA ARG 37 HA ARG 37 18.005 -35.009 20.250 282 HB2 ARG 37 HB2 ARG 37 16.664 -36.718 21.692 283 HB3 ARG 37 HB3 ARG 37 15.526 -35.393 21.895 284 HG2 ARG 37 HG2 ARG 37 15.013 -35.333 19.612 285 HG3 ARG 37 HG3 ARG 37 16.434 -36.287 19.182 286 HD2 ARG 37 HD2 ARG 37 14.376 -37.474 20.983 287 HD3 ARG 37 HD3 ARG 37 14.046 -37.376 19.254 288 HE ARG 37 HE ARG 37 16.604 -38.513 19.784 289 HH11 ARG 37 HH11 ARG 37 13.194 -39.210 19.715 290 HH12 ARG 37 HH12 ARG 37 13.413 -40.902 19.417 291 HH21 ARG 37 HH21 ARG 37 16.906 -40.740 19.391 292 HH22 ARG 37 HH22 ARG 37 15.525 -41.772 19.234 293 H LEU 38 H LEU 38 17.029 -33.416 19.065 294 HA LEU 38 HA LEU 38 15.767 -31.203 20.527 295 HB2 LEU 38 HB2 LEU 38 16.971 -29.578 19.190 296 HB3 LEU 38 HB3 LEU 38 18.087 -30.590 20.104 297 HG LEU 38 HG LEU 38 17.486 -31.287 17.264 298 HD11 LEU 38 HD11 LEU 38 19.555 -29.843 16.741 299 HD12 LEU 38 HD12 LEU 38 19.135 -28.978 18.219 300 HD13 LEU 38 HD13 LEU 38 17.985 -29.053 16.884 301 HD21 LEU 38 HD21 LEU 38 19.199 -32.223 19.290 302 HD22 LEU 38 HD22 LEU 38 20.223 -31.441 18.085 303 HD23 LEU 38 HD23 LEU 38 19.128 -32.738 17.604 304 H GLU 39 H GLU 39 14.204 -30.044 19.385 305 HA GLU 39 HA GLU 39 13.150 -31.455 17.047 306 HB2 GLU 39 HB2 GLU 39 11.044 -30.435 17.526 307 HB3 GLU 39 HB3 GLU 39 11.692 -31.034 19.046 308 HG2 GLU 39 HG2 GLU 39 12.632 -28.579 19.218 309 HG3 GLU 39 HG3 GLU 39 11.295 -28.243 18.119 Start of MODEL 8 1 H1 MET 1 H MET 1 2.468 -4.250 -4.378 2 HA MET 1 HA MET 1 1.624 -1.505 -3.721 3 HB2 MET 1 HB2 MET 1 0.240 -3.580 -2.960 4 HB3 MET 1 HB3 MET 1 1.512 -3.773 -1.761 5 HG2 MET 1 HG2 MET 1 1.071 -1.417 -1.045 6 HG3 MET 1 HG3 MET 1 -0.333 -1.428 -2.110 7 HE1 MET 1 HE1 MET 1 -1.868 -0.749 -0.225 8 HE2 MET 1 HE2 MET 1 -2.187 -1.672 1.244 9 HE3 MET 1 HE3 MET 1 -0.670 -0.788 1.070 10 H ILE 2 H ILE 2 3.766 -4.153 -2.715 11 HA ILE 2 HA ILE 2 5.340 -2.320 -1.090 12 HB ILE 2 HB ILE 2 5.861 -5.250 -1.583 13 HG12 ILE 2 HG12 ILE 2 3.600 -4.906 -0.651 14 HG13 ILE 2 HG13 ILE 2 4.673 -5.692 0.502 15 HG21 ILE 2 HG21 ILE 2 6.825 -3.287 0.484 16 HG22 ILE 2 HG22 ILE 2 7.018 -5.032 0.638 17 HG23 ILE 2 HG23 ILE 2 7.785 -4.175 -0.699 18 HD11 ILE 2 HD11 ILE 2 3.861 -2.796 0.491 19 HD12 ILE 2 HD12 ILE 2 3.336 -4.042 1.624 20 HD13 ILE 2 HD13 ILE 2 5.019 -3.519 1.607 21 H SER 3 H SER 3 7.544 -1.909 -1.419 22 HA SER 3 HA SER 3 8.331 -1.922 -4.211 23 HB2 SER 3 HB2 SER 3 10.335 -0.619 -3.252 24 HB3 SER 3 HB3 SER 3 8.749 0.148 -3.163 25 HG SER 3 HG SER 3 9.280 0.333 -1.126 26 H ASP 4 H ASP 4 10.192 -2.868 -5.038 27 HA ASP 4 HA ASP 4 10.907 -5.374 -3.972 28 HB2 ASP 4 HB2 ASP 4 12.341 -3.705 -6.051 29 HB3 ASP 4 HB3 ASP 4 12.624 -5.416 -5.743 30 H GLU 5 H GLU 5 12.391 -2.197 -3.751 31 HA GLU 5 HA GLU 5 14.867 -3.006 -2.675 32 HB2 GLU 5 HB2 GLU 5 14.018 -0.678 -3.583 33 HB3 GLU 5 HB3 GLU 5 13.630 -0.401 -1.891 34 HG2 GLU 5 HG2 GLU 5 16.032 -1.042 -1.388 35 HG3 GLU 5 HG3 GLU 5 16.317 -0.908 -3.122 36 H GLN 6 H GLN 6 11.974 -1.709 -1.040 37 HA GLN 6 HA GLN 6 12.960 -2.161 1.573 38 HB2 GLN 6 HB2 GLN 6 10.123 -1.816 0.589 39 HB3 GLN 6 HB3 GLN 6 10.608 -1.788 2.279 40 HG2 GLN 6 HG2 GLN 6 11.668 0.119 0.211 41 HG3 GLN 6 HG3 GLN 6 10.267 0.451 1.228 42 HE21 GLN 6 HE21 GLN 6 13.351 1.204 0.914 43 HE22 GLN 6 HE22 GLN 6 13.816 1.414 2.564 44 H LEU 7 H LEU 7 11.038 -4.090 -0.646 45 HA LEU 7 HA LEU 7 10.272 -6.089 1.206 46 HB2 LEU 7 HB2 LEU 7 9.116 -5.792 -0.901 47 HB3 LEU 7 HB3 LEU 7 10.582 -6.199 -1.790 48 HG LEU 7 HG LEU 7 8.697 -7.962 -1.544 49 HD11 LEU 7 HD11 LEU 7 10.230 -9.461 -2.196 50 HD12 LEU 7 HD12 LEU 7 11.220 -9.228 -0.755 51 HD13 LEU 7 HD13 LEU 7 11.351 -8.102 -2.106 52 HD21 LEU 7 HD21 LEU 7 10.118 -8.772 0.933 53 HD22 LEU 7 HD22 LEU 7 8.468 -9.108 0.410 54 HD23 LEU 7 HD23 LEU 7 8.881 -7.522 1.063 55 H ASN 8 H ASN 8 12.849 -6.034 -1.257 56 HA ASN 8 HA ASN 8 13.971 -8.517 -0.608 57 HB2 ASN 8 HB2 ASN 8 14.567 -7.494 -2.685 58 HB3 ASN 8 HB3 ASN 8 15.168 -6.051 -1.875 59 HD21 ASN 8 HD21 ASN 8 15.720 -9.520 -2.209 60 HD22 ASN 8 HD22 ASN 8 17.432 -9.449 -1.986 61 H SER 9 H SER 9 14.902 -5.247 0.446 62 HA SER 9 HA SER 9 17.034 -5.992 2.090 63 HB2 SER 9 HB2 SER 9 15.217 -3.613 1.977 64 HB3 SER 9 HB3 SER 9 16.326 -3.786 3.338 65 HG SER 9 HG SER 9 17.347 -2.632 1.713 66 H LEU 10 H LEU 10 13.589 -5.621 2.826 67 HA LEU 10 HA LEU 10 13.792 -6.113 5.596 68 HB2 LEU 10 HB2 LEU 10 11.837 -5.072 4.620 69 HB3 LEU 10 HB3 LEU 10 11.490 -6.531 3.695 70 HG LEU 10 HG LEU 10 11.569 -6.740 6.662 71 HD11 LEU 10 HD11 LEU 10 9.756 -5.511 7.084 72 HD12 LEU 10 HD12 LEU 10 8.934 -6.058 5.623 73 HD13 LEU 10 HD13 LEU 10 10.084 -4.724 5.540 74 HD21 LEU 10 HD21 LEU 10 9.350 -8.013 5.532 75 HD22 LEU 10 HD22 LEU 10 10.846 -8.761 6.093 76 HD23 LEU 10 HD23 LEU 10 10.678 -8.280 4.403 77 H ALA 11 H ALA 11 13.436 -8.232 2.816 78 HA ALA 11 HA ALA 11 12.833 -10.601 4.236 79 HB1 ALA 11 HB1 ALA 11 13.653 -9.907 1.491 80 HB2 ALA 11 HB2 ALA 11 14.022 -11.551 2.017 81 HB3 ALA 11 HB3 ALA 11 12.360 -10.963 2.060 82 H ILE 12 H ILE 12 15.910 -9.450 2.845 83 HA ILE 12 HA ILE 12 17.500 -11.529 3.858 84 HB ILE 12 HB ILE 12 18.316 -10.096 2.084 85 HG12 ILE 12 HG12 ILE 12 20.576 -9.609 2.968 86 HG13 ILE 12 HG13 ILE 12 19.968 -9.823 4.606 87 HG21 ILE 12 HG21 ILE 12 18.921 -7.786 2.433 88 HG22 ILE 12 HG22 ILE 12 17.226 -8.020 2.859 89 HG23 ILE 12 HG23 ILE 12 18.444 -7.884 4.128 90 HD11 ILE 12 HD11 ILE 12 19.873 -12.085 4.420 91 HD12 ILE 12 HD12 ILE 12 19.591 -12.044 2.679 92 HD13 ILE 12 HD13 ILE 12 21.208 -11.752 3.318 93 H THR 13 H THR 13 16.572 -8.414 5.223 94 HA THR 13 HA THR 13 18.302 -8.435 7.442 95 HB THR 13 HB THR 13 15.587 -7.135 7.153 96 HG1 THR 13 HG1 THR 13 18.029 -5.752 7.057 97 HG21 THR 13 HG21 THR 13 16.799 -5.575 8.920 98 HG22 THR 13 HG22 THR 13 17.633 -7.079 9.313 99 HG23 THR 13 HG23 THR 13 15.875 -6.991 9.421 100 H PHE 14 H PHE 14 14.880 -9.402 7.184 101 HA PHE 14 HA PHE 14 14.620 -10.304 9.832 102 HB2 PHE 14 HB2 PHE 14 12.689 -9.830 8.392 103 HB3 PHE 14 HB3 PHE 14 13.113 -11.195 7.364 104 HD1 PHE 14 HD1 PHE 14 12.861 -13.495 8.194 105 HD2 PHE 14 HD2 PHE 14 11.566 -10.137 10.466 106 HE1 PHE 14 HE1 PHE 14 11.496 -14.979 9.604 107 HE2 PHE 14 HE2 PHE 14 10.200 -11.616 11.880 108 HZ PHE 14 HZ PHE 14 10.163 -14.041 11.449 109 H GLY 15 H GLY 15 15.706 -11.908 6.895 110 HA2 GLY 15 HA2 GLY 15 15.696 -14.553 7.876 111 HA3 GLY 15 HA3 GLY 15 16.671 -13.961 6.539 112 H ILE 16 H ILE 16 18.405 -12.251 7.593 113 HA ILE 16 HA ILE 16 20.301 -13.898 8.854 114 HB ILE 16 HB ILE 16 20.232 -10.883 8.677 115 HG12 ILE 16 HG12 ILE 16 20.202 -12.058 6.495 116 HG13 ILE 16 HG13 ILE 16 21.693 -11.159 6.752 117 HG21 ILE 16 HG21 ILE 16 22.462 -12.772 9.410 118 HG22 ILE 16 HG22 ILE 16 22.694 -11.071 9.012 119 HG23 ILE 16 HG23 ILE 16 21.739 -11.523 10.424 120 HD11 ILE 16 HD11 ILE 16 21.358 -14.122 7.148 121 HD12 ILE 16 HD12 ILE 16 22.088 -13.347 5.742 122 HD13 ILE 16 HD13 ILE 16 22.854 -13.205 7.324 123 H VAL 17 H VAL 17 18.478 -11.125 10.163 124 HA VAL 17 HA VAL 17 19.376 -11.215 12.773 125 HB VAL 17 HB VAL 17 16.596 -10.514 11.819 126 HG11 VAL 17 HG11 VAL 17 17.163 -9.005 14.061 127 HG12 VAL 17 HG12 VAL 17 16.092 -10.406 13.990 128 HG13 VAL 17 HG13 VAL 17 17.778 -10.606 14.471 129 HG21 VAL 17 HG21 VAL 17 18.433 -8.371 12.580 130 HG22 VAL 17 HG22 VAL 17 18.956 -9.292 11.169 131 HG23 VAL 17 HG23 VAL 17 17.374 -8.512 11.177 132 H MET 18 H MET 18 16.516 -12.859 11.423 133 HA MET 18 HA MET 18 15.693 -14.156 13.742 134 HB2 MET 18 HB2 MET 18 14.347 -14.046 11.687 135 HB3 MET 18 HB3 MET 18 15.475 -15.133 10.888 136 HG2 MET 18 HG2 MET 18 13.743 -16.532 11.497 137 HG3 MET 18 HG3 MET 18 14.916 -16.768 12.791 138 HE1 MET 18 HE1 MET 18 11.850 -17.073 12.061 139 HE2 MET 18 HE2 MET 18 11.197 -17.170 13.696 140 HE3 MET 18 HE3 MET 18 10.785 -15.801 12.662 141 H MET 19 H MET 19 17.827 -15.368 11.159 142 HA MET 19 HA MET 19 18.357 -17.878 12.213 143 HB2 MET 19 HB2 MET 19 19.037 -17.181 9.960 144 HB3 MET 19 HB3 MET 19 20.230 -16.090 10.652 145 HG2 MET 19 HG2 MET 19 21.613 -17.815 11.324 146 HG3 MET 19 HG3 MET 19 20.313 -19.004 11.288 147 HE1 MET 19 HE1 MET 19 20.615 -20.665 8.048 148 HE2 MET 19 HE2 MET 19 20.296 -20.720 9.782 149 HE3 MET 19 HE3 MET 19 19.213 -19.827 8.713 150 H THR 20 H THR 20 19.852 -14.769 12.942 151 HA THR 20 HA THR 20 21.962 -15.756 14.538 152 HB THR 20 HB THR 20 20.611 -13.064 14.798 153 HG1 THR 20 HG1 THR 20 21.464 -12.625 12.920 154 HG21 THR 20 HG21 THR 20 23.314 -14.125 15.601 155 HG22 THR 20 HG22 THR 20 22.082 -13.390 16.628 156 HG23 THR 20 HG23 THR 20 22.967 -12.401 15.467 157 H LEU 21 H LEU 21 18.815 -14.358 15.463 158 HA LEU 21 HA LEU 21 19.024 -14.649 18.206 159 HB2 LEU 21 HB2 LEU 21 16.555 -14.959 16.504 160 HB3 LEU 21 HB3 LEU 21 16.570 -14.669 18.242 161 HG LEU 21 HG LEU 21 17.852 -12.715 16.369 162 HD11 LEU 21 HD11 LEU 21 15.114 -13.429 16.299 163 HD12 LEU 21 HD12 LEU 21 15.925 -12.102 15.469 164 HD13 LEU 21 HD13 LEU 21 15.239 -11.850 17.074 165 HD21 LEU 21 HD21 LEU 21 18.045 -12.722 18.942 166 HD22 LEU 21 HD22 LEU 21 16.375 -12.157 18.915 167 HD23 LEU 21 HD23 LEU 21 17.639 -11.211 18.128 168 H ILE 22 H ILE 22 17.637 -16.957 15.875 169 HA ILE 22 HA ILE 22 17.108 -18.973 17.789 170 HB ILE 22 HB ILE 22 16.757 -20.466 15.923 171 HG12 ILE 22 HG12 ILE 22 18.001 -18.295 14.220 172 HG13 ILE 22 HG13 ILE 22 18.734 -19.850 14.599 173 HG21 ILE 22 HG21 ILE 22 14.904 -19.430 15.071 174 HG22 ILE 22 HG22 ILE 22 15.236 -18.385 16.451 175 HG23 ILE 22 HG23 ILE 22 15.735 -17.893 14.833 176 HD11 ILE 22 HD11 ILE 22 16.398 -20.659 13.529 177 HD12 ILE 22 HD12 ILE 22 16.666 -19.160 12.638 178 HD13 ILE 22 HD13 ILE 22 17.886 -20.432 12.611 179 H ASP 23 H ASP 23 19.926 -18.138 15.906 180 HA ASP 23 HA ASP 23 21.347 -20.560 16.218 181 HB2 ASP 23 HB2 ASP 23 22.071 -19.031 14.530 182 HB3 ASP 23 HB3 ASP 23 22.264 -17.730 15.702 183 H ILE 24 H ILE 24 21.573 -17.482 17.999 184 HA ILE 24 HA ILE 24 23.433 -18.413 19.908 185 HB ILE 24 HB ILE 24 23.111 -16.033 19.533 186 HG12 ILE 24 HG12 ILE 24 22.227 -15.819 22.227 187 HG13 ILE 24 HG13 ILE 24 23.146 -17.314 22.091 188 HG21 ILE 24 HG21 ILE 24 20.689 -16.124 19.076 189 HG22 ILE 24 HG22 ILE 24 20.395 -16.375 20.796 190 HG23 ILE 24 HG23 ILE 24 21.114 -14.865 20.236 191 HD11 ILE 24 HD11 ILE 24 24.071 -14.601 22.183 192 HD12 ILE 24 HD12 ILE 24 24.983 -16.106 22.302 193 HD13 ILE 24 HD13 ILE 24 24.642 -15.404 20.721 194 H TYR 25 H TYR 25 19.907 -18.319 19.855 195 HA TYR 25 HA TYR 25 19.546 -19.139 22.550 196 HB2 TYR 25 HB2 TYR 25 17.852 -18.675 20.199 197 HB3 TYR 25 HB3 TYR 25 17.258 -19.945 21.263 198 HD1 TYR 25 HD1 TYR 25 19.102 -16.870 22.231 199 HD2 TYR 25 HD2 TYR 25 15.379 -18.930 22.239 200 HE1 TYR 25 HE1 TYR 25 18.168 -15.165 23.738 201 HE2 TYR 25 HE2 TYR 25 14.434 -17.231 23.745 202 HH TYR 25 HH TYR 25 16.433 -14.665 25.103 203 H HIS 26 H HIS 26 19.813 -20.853 19.487 204 HA HIS 26 HA HIS 26 19.113 -23.411 20.527 205 HB2 HIS 26 HB2 HIS 26 18.864 -23.053 18.174 206 HB3 HIS 26 HB3 HIS 26 20.546 -22.558 18.009 207 HD1 HIS 26 HD1 HIS 26 22.351 -24.474 18.173 208 HD2 HIS 26 HD2 HIS 26 18.406 -25.769 18.023 209 HE1 HIS 26 HE1 HIS 26 22.469 -26.926 17.628 210 H ALA 27 H ALA 27 22.128 -21.654 20.111 211 HA ALA 27 HA ALA 27 23.843 -23.848 20.701 212 HB1 ALA 27 HB1 ALA 27 24.743 -21.077 21.253 213 HB2 ALA 27 HB2 ALA 27 25.566 -22.391 20.412 214 HB3 ALA 27 HB3 ALA 27 24.298 -21.478 19.594 215 H VAL 28 H VAL 28 22.599 -21.135 22.629 216 HA VAL 28 HA VAL 28 23.913 -21.903 25.028 217 HB VAL 28 HB VAL 28 23.139 -19.608 24.666 218 HG11 VAL 28 HG11 VAL 28 20.323 -20.503 25.157 219 HG12 VAL 28 HG12 VAL 28 20.908 -18.974 24.498 220 HG13 VAL 28 HG13 VAL 28 20.981 -20.442 23.522 221 HG21 VAL 28 HG21 VAL 28 21.657 -20.794 27.002 222 HG22 VAL 28 HG22 VAL 28 23.410 -20.602 26.967 223 HG23 VAL 28 HG23 VAL 28 22.365 -19.184 26.870 224 H ASP 29 H ASP 29 20.768 -22.612 23.630 225 HA ASP 29 HA ASP 29 19.664 -23.830 25.952 226 HB2 ASP 29 HB2 ASP 29 18.942 -23.854 23.033 227 HB3 ASP 29 HB3 ASP 29 18.089 -24.878 24.185 228 H SER 30 H SER 30 21.217 -25.121 23.031 229 HA SER 30 HA SER 30 20.982 -27.843 23.791 230 HB2 SER 30 HB2 SER 30 21.326 -27.169 21.455 231 HB3 SER 30 HB3 SER 30 22.920 -26.537 21.863 232 HG SER 30 HG SER 30 23.697 -28.498 21.862 233 H THR 31 H THR 31 23.470 -25.396 24.249 234 HA THR 31 HA THR 31 25.420 -27.187 25.319 235 HB THR 31 HB THR 31 25.215 -24.179 25.557 236 HG1 THR 31 HG1 THR 31 26.878 -25.746 23.858 237 HG21 THR 31 HG21 THR 31 26.682 -24.738 27.264 238 HG22 THR 31 HG22 THR 31 27.775 -24.526 25.896 239 HG23 THR 31 HG23 THR 31 27.304 -26.147 26.406 240 H MET 32 H MET 32 22.891 -25.159 26.682 241 HA MET 32 HA MET 32 23.723 -25.568 29.401 242 HB2 MET 32 HB2 MET 32 22.503 -23.542 28.696 243 HB3 MET 32 HB3 MET 32 21.099 -24.530 28.314 244 HG2 MET 32 HG2 MET 32 20.582 -23.681 30.394 245 HG3 MET 32 HG3 MET 32 21.227 -25.277 30.772 246 HE1 MET 32 HE1 MET 32 22.112 -21.685 32.843 247 HE2 MET 32 HE2 MET 32 20.690 -22.441 32.122 248 HE3 MET 32 HE3 MET 32 21.492 -23.202 33.497 249 H SER 33 H SER 33 21.304 -26.951 27.238 250 HA SER 33 HA SER 33 20.948 -29.145 29.160 251 HB2 SER 33 HB2 SER 33 19.015 -27.374 29.027 252 HB3 SER 33 HB3 SER 33 18.612 -28.210 27.528 253 HG SER 33 HG SER 33 18.269 -29.006 30.121 254 HA PRO 34 HA PRO 34 21.997 -30.605 24.854 255 HB2 PRO 34 HB2 PRO 34 24.035 -32.223 25.628 256 HB3 PRO 34 HB3 PRO 34 24.257 -30.510 25.252 257 HG2 PRO 34 HG2 PRO 34 23.976 -31.842 27.918 258 HG3 PRO 34 HG3 PRO 34 25.096 -30.561 27.420 259 HD2 PRO 34 HD2 PRO 34 22.838 -30.057 28.827 260 HD3 PRO 34 HD3 PRO 34 23.506 -28.909 27.649 261 H LYS 35 H LYS 35 19.854 -31.616 25.225 262 HA LYS 35 HA LYS 35 19.713 -34.122 26.612 263 HB2 LYS 35 HB2 LYS 35 17.849 -32.487 24.950 264 HB3 LYS 35 HB3 LYS 35 17.475 -34.187 25.194 265 HG2 LYS 35 HG2 LYS 35 17.776 -33.696 27.691 266 HG3 LYS 35 HG3 LYS 35 17.663 -31.996 27.227 267 HD2 LYS 35 HD2 LYS 35 15.514 -32.770 25.970 268 HD3 LYS 35 HD3 LYS 35 15.595 -34.151 27.066 269 HE2 LYS 35 HE2 LYS 35 15.891 -32.269 28.881 270 HE3 LYS 35 HE3 LYS 35 15.103 -31.271 27.660 271 HZ1 LYS 35 HZ1 LYS 35 13.229 -32.733 27.654 272 HZ2 LYS 35 HZ2 LYS 35 13.548 -32.298 29.257 273 HZ3 LYS 35 HZ3 LYS 35 13.999 -33.827 28.690 274 H ASN 36 H ASN 36 19.022 -33.414 23.186 275 HA ASN 36 HA ASN 36 20.122 -36.057 22.515 276 HB2 ASN 36 HB2 ASN 36 17.673 -35.301 21.947 277 HB3 ASN 36 HB3 ASN 36 18.451 -34.452 20.614 278 HD21 ASN 36 HD21 ASN 36 18.799 -37.627 22.169 279 HD22 ASN 36 HD22 ASN 36 18.743 -38.538 20.702 280 H ARG 37 H ARG 37 21.105 -36.178 20.278 281 HA ARG 37 HA ARG 37 22.938 -33.909 19.954 282 HB2 ARG 37 HB2 ARG 37 23.859 -36.213 20.379 283 HB3 ARG 37 HB3 ARG 37 23.216 -36.691 18.814 284 HG2 ARG 37 HG2 ARG 37 25.384 -36.205 18.271 285 HG3 ARG 37 HG3 ARG 37 24.605 -34.654 17.950 286 HD2 ARG 37 HD2 ARG 37 26.612 -34.229 19.173 287 HD3 ARG 37 HD3 ARG 37 25.249 -33.941 20.253 288 HE ARG 37 HE ARG 37 26.052 -36.576 20.618 289 HH11 ARG 37 HH11 ARG 37 27.344 -33.375 21.066 290 HH12 ARG 37 HH12 ARG 37 28.362 -33.830 22.392 291 HH21 ARG 37 HH21 ARG 37 27.387 -37.188 22.363 292 HH22 ARG 37 HH22 ARG 37 28.386 -35.999 23.128 293 H LEU 38 H LEU 38 20.915 -36.140 18.075 294 HA LEU 38 HA LEU 38 20.283 -34.068 16.187 295 HB2 LEU 38 HB2 LEU 38 22.554 -35.149 15.534 296 HB3 LEU 38 HB3 LEU 38 21.557 -36.502 15.005 297 HG LEU 38 HG LEU 38 21.091 -33.713 13.991 298 HD11 LEU 38 HD11 LEU 38 22.452 -34.343 12.026 299 HD12 LEU 38 HD12 LEU 38 22.985 -35.783 12.891 300 HD13 LEU 38 HD13 LEU 38 23.401 -34.183 13.504 301 HD21 LEU 38 HD21 LEU 38 20.454 -35.409 12.002 302 HD22 LEU 38 HD22 LEU 38 19.310 -34.871 13.232 303 HD23 LEU 38 HD23 LEU 38 20.115 -36.432 13.399 304 H GLU 39 H GLU 39 18.141 -34.351 16.278 305 HA GLU 39 HA GLU 39 17.045 -37.064 16.172 306 HB2 GLU 39 HB2 GLU 39 14.999 -36.155 16.973 307 HB3 GLU 39 HB3 GLU 39 16.280 -35.412 17.920 308 HG2 GLU 39 HG2 GLU 39 16.141 -33.488 16.232 309 HG3 GLU 39 HG3 GLU 39 14.599 -34.201 15.762 Start of MODEL 9 1 H1 MET 1 H MET 1 -0.065 -0.181 -1.972 2 HA MET 1 HA MET 1 1.851 0.042 -3.612 3 HB2 MET 1 HB2 MET 1 2.177 2.497 -3.211 4 HB3 MET 1 HB3 MET 1 0.496 1.987 -3.300 5 HG2 MET 1 HG2 MET 1 0.512 1.913 -0.781 6 HG3 MET 1 HG3 MET 1 2.079 2.715 -0.855 7 HE1 MET 1 HE1 MET 1 -1.838 3.147 -1.470 8 HE2 MET 1 HE2 MET 1 -1.153 3.285 0.150 9 HE3 MET 1 HE3 MET 1 -1.842 4.704 -0.641 10 H ILE 2 H ILE 2 3.142 -1.610 -1.986 11 HA ILE 2 HA ILE 2 5.154 -0.390 -0.382 12 HB ILE 2 HB ILE 2 5.172 -3.155 -1.596 13 HG12 ILE 2 HG12 ILE 2 3.138 -2.725 -0.257 14 HG13 ILE 2 HG13 ILE 2 4.189 -3.917 0.500 15 HG21 ILE 2 HG21 ILE 2 6.672 -3.691 0.277 16 HG22 ILE 2 HG22 ILE 2 7.351 -2.464 -0.791 17 HG23 ILE 2 HG23 ILE 2 6.653 -1.995 0.760 18 HD11 ILE 2 HD11 ILE 2 3.205 -2.284 2.077 19 HD12 ILE 2 HD12 ILE 2 4.968 -2.305 2.085 20 HD13 ILE 2 HD13 ILE 2 4.106 -1.009 1.258 21 H SER 3 H SER 3 7.291 0.028 -0.823 22 HA SER 3 HA SER 3 7.935 0.383 -3.641 23 HB2 SER 3 HB2 SER 3 9.302 1.316 -1.110 24 HB3 SER 3 HB3 SER 3 9.927 1.625 -2.729 25 HG SER 3 HG SER 3 8.229 2.927 -3.151 26 H ASP 4 H ASP 4 9.731 -0.493 -4.656 27 HA ASP 4 HA ASP 4 10.445 -3.111 -3.952 28 HB2 ASP 4 HB2 ASP 4 12.028 -1.269 -5.751 29 HB3 ASP 4 HB3 ASP 4 11.996 -3.030 -5.787 30 H GLU 5 H GLU 5 12.039 -0.023 -3.374 31 HA GLU 5 HA GLU 5 14.485 -1.052 -2.420 32 HB2 GLU 5 HB2 GLU 5 13.138 1.556 -1.697 33 HB3 GLU 5 HB3 GLU 5 14.837 1.171 -1.460 34 HG2 GLU 5 HG2 GLU 5 13.516 1.202 -4.158 35 HG3 GLU 5 HG3 GLU 5 14.305 2.608 -3.446 36 H GLN 6 H GLN 6 11.637 0.149 -0.645 37 HA GLN 6 HA GLN 6 12.595 -0.527 1.915 38 HB2 GLN 6 HB2 GLN 6 9.929 0.155 0.763 39 HB3 GLN 6 HB3 GLN 6 9.984 -0.549 2.374 40 HG2 GLN 6 HG2 GLN 6 9.930 1.894 2.428 41 HG3 GLN 6 HG3 GLN 6 11.401 1.244 3.151 42 HE21 GLN 6 HE21 GLN 6 10.070 3.217 0.701 43 HE22 GLN 6 HE22 GLN 6 11.557 3.716 -0.024 44 H LEU 7 H LEU 7 10.659 -2.305 -0.436 45 HA LEU 7 HA LEU 7 9.984 -4.482 1.220 46 HB2 LEU 7 HB2 LEU 7 8.808 -4.091 -0.838 47 HB3 LEU 7 HB3 LEU 7 10.292 -4.282 -1.770 48 HG LEU 7 HG LEU 7 10.304 -6.691 -0.859 49 HD11 LEU 7 HD11 LEU 7 7.481 -5.846 -0.255 50 HD12 LEU 7 HD12 LEU 7 8.663 -6.555 0.845 51 HD13 LEU 7 HD13 LEU 7 7.970 -7.529 -0.451 52 HD21 LEU 7 HD21 LEU 7 8.008 -6.612 -2.619 53 HD22 LEU 7 HD22 LEU 7 9.635 -7.224 -2.914 54 HD23 LEU 7 HD23 LEU 7 9.280 -5.512 -3.152 55 H ASN 8 H ASN 8 12.595 -4.116 -1.178 56 HA ASN 8 HA ASN 8 13.784 -6.613 -0.784 57 HB2 ASN 8 HB2 ASN 8 14.398 -5.302 -2.697 58 HB3 ASN 8 HB3 ASN 8 14.964 -3.980 -1.680 59 HD21 ASN 8 HD21 ASN 8 15.634 -7.192 -2.846 60 HD22 ASN 8 HD22 ASN 8 17.310 -7.208 -2.426 61 H SER 9 H SER 9 14.574 -3.473 0.694 62 HA SER 9 HA SER 9 16.678 -4.347 2.308 63 HB2 SER 9 HB2 SER 9 15.723 -1.936 1.809 64 HB3 SER 9 HB3 SER 9 14.828 -2.215 3.302 65 HG SER 9 HG SER 9 17.286 -1.386 3.095 66 H LEU 10 H LEU 10 13.199 -4.221 2.943 67 HA LEU 10 HA LEU 10 13.329 -5.036 5.642 68 HB2 LEU 10 HB2 LEU 10 11.213 -4.918 3.555 69 HB3 LEU 10 HB3 LEU 10 10.900 -5.867 5.007 70 HG LEU 10 HG LEU 10 11.678 -2.956 5.061 71 HD11 LEU 10 HD11 LEU 10 9.647 -2.715 4.073 72 HD12 LEU 10 HD12 LEU 10 9.116 -2.882 5.746 73 HD13 LEU 10 HD13 LEU 10 9.050 -4.269 4.658 74 HD21 LEU 10 HD21 LEU 10 12.137 -3.931 7.147 75 HD22 LEU 10 HD22 LEU 10 10.681 -4.925 7.100 76 HD23 LEU 10 HD23 LEU 10 10.552 -3.181 7.335 77 H ALA 11 H ALA 11 13.153 -6.814 2.615 78 HA ALA 11 HA ALA 11 12.627 -9.361 3.720 79 HB1 ALA 11 HB1 ALA 11 14.015 -9.877 1.408 80 HB2 ALA 11 HB2 ALA 11 12.275 -9.613 1.528 81 HB3 ALA 11 HB3 ALA 11 13.343 -8.273 1.113 82 H ILE 12 H ILE 12 15.682 -7.920 2.570 83 HA ILE 12 HA ILE 12 17.345 -10.030 3.368 84 HB ILE 12 HB ILE 12 18.142 -8.346 1.825 85 HG12 ILE 12 HG12 ILE 12 20.344 -7.868 2.841 86 HG13 ILE 12 HG13 ILE 12 19.698 -8.301 4.421 87 HG21 ILE 12 HG21 ILE 12 18.592 -6.072 2.464 88 HG22 ILE 12 HG22 ILE 12 16.909 -6.447 2.833 89 HG23 ILE 12 HG23 ILE 12 18.107 -6.402 4.127 90 HD11 ILE 12 HD11 ILE 12 21.079 -10.014 3.015 91 HD12 ILE 12 HD12 ILE 12 19.676 -10.537 3.947 92 HD13 ILE 12 HD13 ILE 12 19.534 -10.281 2.208 93 H THR 13 H THR 13 16.261 -7.142 5.085 94 HA THR 13 HA THR 13 17.915 -7.394 7.343 95 HB THR 13 HB THR 13 15.159 -6.167 7.131 96 HG1 THR 13 HG1 THR 13 17.768 -5.274 6.609 97 HG21 THR 13 HG21 THR 13 17.046 -6.447 9.374 98 HG22 THR 13 HG22 THR 13 15.306 -6.162 9.384 99 HG23 THR 13 HG23 THR 13 16.418 -4.819 9.119 100 H PHE 14 H PHE 14 14.557 -8.467 6.824 101 HA PHE 14 HA PHE 14 14.255 -9.709 9.332 102 HB2 PHE 14 HB2 PHE 14 12.802 -9.742 6.744 103 HB3 PHE 14 HB3 PHE 14 12.505 -11.094 7.832 104 HD1 PHE 14 HD1 PHE 14 12.321 -10.136 10.427 105 HD2 PHE 14 HD2 PHE 14 11.189 -8.130 6.848 106 HE1 PHE 14 HE1 PHE 14 10.731 -8.760 11.705 107 HE2 PHE 14 HE2 PHE 14 9.598 -6.750 8.120 108 HZ PHE 14 HZ PHE 14 9.368 -7.063 10.552 109 H GLY 15 H GLY 15 15.579 -10.821 6.286 110 HA2 GLY 15 HA2 GLY 15 15.605 -13.590 6.866 111 HA3 GLY 15 HA3 GLY 15 16.621 -12.778 5.684 112 H ILE 16 H ILE 16 18.266 -11.218 7.009 113 HA ILE 16 HA ILE 16 20.130 -12.972 8.167 114 HB ILE 16 HB ILE 16 20.838 -10.908 7.098 115 HG12 ILE 16 HG12 ILE 16 22.444 -10.130 8.794 116 HG13 ILE 16 HG13 ILE 16 21.502 -10.923 10.051 117 HG21 ILE 16 HG21 ILE 16 19.696 -9.401 9.438 118 HG22 ILE 16 HG22 ILE 16 20.400 -8.744 7.961 119 HG23 ILE 16 HG23 ILE 16 18.851 -9.586 7.901 120 HD11 ILE 16 HD11 ILE 16 22.516 -12.537 7.767 121 HD12 ILE 16 HD12 ILE 16 23.623 -12.061 9.056 122 HD13 ILE 16 HD13 ILE 16 22.189 -13.016 9.432 123 H VAL 17 H VAL 17 17.895 -10.640 9.627 124 HA VAL 17 HA VAL 17 18.757 -10.963 12.290 125 HB VAL 17 HB VAL 17 16.065 -10.122 11.211 126 HG11 VAL 17 HG11 VAL 17 15.489 -10.688 13.357 127 HG12 VAL 17 HG12 VAL 17 17.104 -10.367 13.993 128 HG13 VAL 17 HG13 VAL 17 16.027 -9.026 13.599 129 HG21 VAL 17 HG21 VAL 17 16.844 -8.005 11.112 130 HG22 VAL 17 HG22 VAL 17 17.881 -8.204 12.525 131 HG23 VAL 17 HG23 VAL 17 18.404 -8.813 10.954 132 H MET 18 H MET 18 16.362 -12.670 10.346 133 HA MET 18 HA MET 18 15.251 -14.192 12.460 134 HB2 MET 18 HB2 MET 18 14.113 -13.876 10.304 135 HB3 MET 18 HB3 MET 18 15.367 -14.812 9.503 136 HG2 MET 18 HG2 MET 18 13.647 -16.334 9.753 137 HG3 MET 18 HG3 MET 18 14.705 -16.695 11.115 138 HE1 MET 18 HE1 MET 18 14.526 -15.917 13.284 139 HE2 MET 18 HE2 MET 18 13.108 -15.289 14.124 140 HE3 MET 18 HE3 MET 18 13.217 -17.008 13.739 141 H MET 19 H MET 19 17.728 -14.958 10.022 142 HA MET 19 HA MET 19 18.256 -17.569 10.926 143 HB2 MET 19 HB2 MET 19 18.943 -16.581 8.714 144 HB3 MET 19 HB3 MET 19 20.217 -15.719 9.565 145 HG2 MET 19 HG2 MET 19 21.438 -17.613 9.949 146 HG3 MET 19 HG3 MET 19 20.027 -18.666 9.891 147 HE1 MET 19 HE1 MET 19 18.860 -17.903 6.502 148 HE2 MET 19 HE2 MET 19 19.344 -19.599 6.539 149 HE3 MET 19 HE3 MET 19 18.605 -18.861 7.962 150 H THR 20 H THR 20 19.549 -14.436 11.862 151 HA THR 20 HA THR 20 21.683 -15.415 13.452 152 HB THR 20 HB THR 20 20.221 -12.772 13.618 153 HG1 THR 20 HG1 THR 20 22.181 -12.099 12.461 154 HG21 THR 20 HG21 THR 20 22.623 -12.183 14.569 155 HG22 THR 20 HG22 THR 20 22.581 -13.878 15.054 156 HG23 THR 20 HG23 THR 20 21.333 -12.768 15.619 157 H LEU 21 H LEU 21 18.397 -14.321 14.259 158 HA LEU 21 HA LEU 21 18.586 -14.690 17.033 159 HB2 LEU 21 HB2 LEU 21 16.197 -14.818 15.202 160 HB3 LEU 21 HB3 LEU 21 16.098 -14.796 16.961 161 HG LEU 21 HG LEU 21 17.504 -12.575 15.542 162 HD11 LEU 21 HD11 LEU 21 15.397 -12.796 14.350 163 HD12 LEU 21 HD12 LEU 21 15.389 -11.357 15.369 164 HD13 LEU 21 HD13 LEU 21 14.516 -12.802 15.878 165 HD21 LEU 21 HD21 LEU 21 16.735 -11.303 17.461 166 HD22 LEU 21 HD22 LEU 21 17.593 -12.751 17.991 167 HD23 LEU 21 HD23 LEU 21 15.830 -12.698 18.049 168 H ILE 22 H ILE 22 17.394 -16.861 14.486 169 HA ILE 22 HA ILE 22 16.728 -18.993 16.226 170 HB ILE 22 HB ILE 22 17.412 -19.091 13.285 171 HG12 ILE 22 HG12 ILE 22 14.679 -19.068 14.568 172 HG13 ILE 22 HG13 ILE 22 15.482 -17.605 14.010 173 HG21 ILE 22 HG21 ILE 22 16.963 -21.175 15.160 174 HG22 ILE 22 HG22 ILE 22 15.582 -21.110 14.066 175 HG23 ILE 22 HG23 ILE 22 17.211 -21.295 13.418 176 HD11 ILE 22 HD11 ILE 22 13.952 -18.330 12.331 177 HD12 ILE 22 HD12 ILE 22 15.591 -18.610 11.743 178 HD13 ILE 22 HD13 ILE 22 14.628 -19.958 12.347 179 H ASP 23 H ASP 23 19.644 -18.174 14.418 180 HA ASP 23 HA ASP 23 21.062 -20.556 14.831 181 HB2 ASP 23 HB2 ASP 23 21.791 -18.878 13.216 182 HB3 ASP 23 HB3 ASP 23 22.106 -17.734 14.518 183 H ILE 24 H ILE 24 21.113 -17.523 16.695 184 HA ILE 24 HA ILE 24 22.902 -18.434 18.675 185 HB ILE 24 HB ILE 24 20.793 -16.283 18.897 186 HG12 ILE 24 HG12 ILE 24 23.736 -15.918 18.352 187 HG13 ILE 24 HG13 ILE 24 22.559 -16.091 17.054 188 HG21 ILE 24 HG21 ILE 24 22.809 -17.312 20.754 189 HG22 ILE 24 HG22 ILE 24 22.838 -15.561 20.546 190 HG23 ILE 24 HG23 ILE 24 21.356 -16.362 21.066 191 HD11 ILE 24 HD11 ILE 24 21.412 -14.102 17.775 192 HD12 ILE 24 HD12 ILE 24 22.481 -13.957 19.171 193 HD13 ILE 24 HD13 ILE 24 23.125 -13.752 17.542 194 H TYR 25 H TYR 25 19.351 -18.137 18.716 195 HA TYR 25 HA TYR 25 18.918 -19.178 21.261 196 HB2 TYR 25 HB2 TYR 25 17.269 -18.919 18.792 197 HB3 TYR 25 HB3 TYR 25 16.664 -19.955 20.080 198 HD1 TYR 25 HD1 TYR 25 16.204 -16.879 18.792 199 HD2 TYR 25 HD2 TYR 25 17.217 -18.654 22.524 200 HE1 TYR 25 HE1 TYR 25 15.329 -14.901 19.964 201 HE2 TYR 25 HE2 TYR 25 16.344 -16.682 23.706 202 HH TYR 25 HH TYR 25 15.605 -13.771 22.127 203 H HIS 26 H HIS 26 19.303 -20.817 18.163 204 HA HIS 26 HA HIS 26 18.641 -23.412 19.103 205 HB2 HIS 26 HB2 HIS 26 18.533 -22.950 16.741 206 HB3 HIS 26 HB3 HIS 26 20.234 -22.494 16.703 207 HD1 HIS 26 HD1 HIS 26 17.971 -25.422 16.582 208 HD2 HIS 26 HD2 HIS 26 22.050 -24.678 16.840 209 HE1 HIS 26 HE1 HIS 26 19.088 -27.616 16.070 210 H ALA 27 H ALA 27 21.741 -21.760 18.567 211 HA ALA 27 HA ALA 27 23.397 -23.893 19.348 212 HB1 ALA 27 HB1 ALA 27 23.713 -21.123 18.649 213 HB2 ALA 27 HB2 ALA 27 24.740 -21.535 20.023 214 HB3 ALA 27 HB3 ALA 27 24.867 -22.450 18.520 215 H VAL 28 H VAL 28 22.016 -21.200 21.194 216 HA VAL 28 HA VAL 28 23.299 -21.800 23.639 217 HB VAL 28 HB VAL 28 20.685 -20.357 23.178 218 HG11 VAL 28 HG11 VAL 28 22.389 -20.769 25.595 219 HG12 VAL 28 HG12 VAL 28 21.476 -19.270 25.413 220 HG13 VAL 28 HG13 VAL 28 20.633 -20.819 25.436 221 HG21 VAL 28 HG21 VAL 28 23.335 -19.640 22.510 222 HG22 VAL 28 HG22 VAL 28 21.881 -18.646 22.417 223 HG23 VAL 28 HG23 VAL 28 22.856 -18.648 23.887 224 H ASP 29 H ASP 29 20.063 -22.602 22.406 225 HA ASP 29 HA ASP 29 19.220 -24.035 24.686 226 HB2 ASP 29 HB2 ASP 29 17.576 -23.253 23.119 227 HB3 ASP 29 HB3 ASP 29 18.323 -24.155 21.803 228 H SER 30 H SER 30 20.867 -25.020 21.724 229 HA SER 30 HA SER 30 20.747 -27.811 22.232 230 HB2 SER 30 HB2 SER 30 21.134 -27.167 19.982 231 HB3 SER 30 HB3 SER 30 22.476 -26.115 20.432 232 HG SER 30 HG SER 30 23.308 -28.014 19.598 233 H THR 31 H THR 31 23.055 -25.282 23.029 234 HA THR 31 HA THR 31 25.048 -27.080 24.036 235 HB THR 31 HB THR 31 26.050 -24.975 25.018 236 HG1 THR 31 HG1 THR 31 24.851 -23.240 25.029 237 HG21 THR 31 HG21 THR 31 25.915 -24.018 22.376 238 HG22 THR 31 HG22 THR 31 25.773 -25.773 22.273 239 HG23 THR 31 HG23 THR 31 27.158 -25.047 23.086 240 H MET 32 H MET 32 22.409 -25.208 25.412 241 HA MET 32 HA MET 32 23.147 -25.742 28.134 242 HB2 MET 32 HB2 MET 32 21.873 -23.729 27.497 243 HB3 MET 32 HB3 MET 32 20.529 -24.745 26.995 244 HG2 MET 32 HG2 MET 32 20.315 -25.563 29.303 245 HG3 MET 32 HG3 MET 32 21.618 -24.480 29.786 246 HE1 MET 32 HE1 MET 32 19.880 -24.238 31.503 247 HE2 MET 32 HE2 MET 32 19.447 -22.530 31.584 248 HE3 MET 32 HE3 MET 32 18.213 -23.736 31.216 249 H SER 33 H SER 33 20.872 -27.097 25.804 250 HA SER 33 HA SER 33 20.549 -29.417 27.576 251 HB2 SER 33 HB2 SER 33 18.532 -28.072 27.850 252 HB3 SER 33 HB3 SER 33 18.310 -28.007 26.101 253 HG SER 33 HG SER 33 17.088 -29.689 26.560 254 HA PRO 34 HA PRO 34 21.735 -30.548 23.207 255 HB2 PRO 34 HB2 PRO 34 23.817 -32.139 23.918 256 HB3 PRO 34 HB3 PRO 34 23.982 -30.398 23.661 257 HG2 PRO 34 HG2 PRO 34 23.699 -31.915 26.226 258 HG3 PRO 34 HG3 PRO 34 24.780 -30.563 25.839 259 HD2 PRO 34 HD2 PRO 34 22.477 -30.236 27.226 260 HD3 PRO 34 HD3 PRO 34 23.124 -28.988 26.141 261 H LYS 35 H LYS 35 22.337 -32.974 22.547 262 HA LYS 35 HA LYS 35 20.154 -34.590 23.597 263 HB2 LYS 35 HB2 LYS 35 21.901 -34.742 21.159 264 HB3 LYS 35 HB3 LYS 35 20.954 -36.135 21.665 265 HG2 LYS 35 HG2 LYS 35 18.919 -35.010 21.325 266 HG3 LYS 35 HG3 LYS 35 19.715 -33.438 21.218 267 HD2 LYS 35 HD2 LYS 35 19.083 -34.141 19.006 268 HD3 LYS 35 HD3 LYS 35 20.841 -34.211 19.143 269 HE2 LYS 35 HE2 LYS 35 20.790 -36.588 19.408 270 HE3 LYS 35 HE3 LYS 35 19.032 -36.588 19.535 271 HZ1 LYS 35 HZ1 LYS 35 19.504 -35.374 17.151 272 HZ2 LYS 35 HZ2 LYS 35 19.056 -36.991 17.361 273 HZ3 LYS 35 HZ3 LYS 35 20.689 -36.581 17.198 274 H ASN 36 H ASN 36 20.713 -35.589 25.450 275 HA ASN 36 HA ASN 36 23.352 -36.694 25.836 276 HB2 ASN 36 HB2 ASN 36 21.914 -35.636 27.655 277 HB3 ASN 36 HB3 ASN 36 20.947 -37.108 27.613 278 HD21 ASN 36 HD21 ASN 36 24.232 -35.910 28.072 279 HD22 ASN 36 HD22 ASN 36 24.729 -37.162 29.153 280 H ARG 37 H ARG 37 23.976 -38.735 25.503 281 HA ARG 37 HA ARG 37 21.987 -40.629 24.496 282 HB2 ARG 37 HB2 ARG 37 24.926 -40.292 24.182 283 HB3 ARG 37 HB3 ARG 37 24.285 -41.927 24.090 284 HG2 ARG 37 HG2 ARG 37 24.288 -41.245 21.884 285 HG3 ARG 37 HG3 ARG 37 22.624 -40.938 22.384 286 HD2 ARG 37 HD2 ARG 37 23.205 -38.991 21.258 287 HD3 ARG 37 HD3 ARG 37 23.465 -38.569 22.950 288 HE ARG 37 HE ARG 37 25.875 -39.537 21.963 289 HH11 ARG 37 HH11 ARG 37 23.721 -36.861 21.397 290 HH12 ARG 37 HH12 ARG 37 24.980 -35.788 20.880 291 HH21 ARG 37 HH21 ARG 37 27.541 -38.134 21.285 292 HH22 ARG 37 HH22 ARG 37 27.152 -36.514 20.816 293 H LEU 38 H LEU 38 21.741 -42.705 25.330 294 HA LEU 38 HA LEU 38 22.502 -42.966 28.134 295 HB2 LEU 38 HB2 LEU 38 20.430 -44.159 26.373 296 HB3 LEU 38 HB3 LEU 38 20.986 -45.112 27.748 297 HG LEU 38 HG LEU 38 18.955 -43.908 28.303 298 HD11 LEU 38 HD11 LEU 38 21.254 -42.578 29.714 299 HD12 LEU 38 HD12 LEU 38 20.788 -44.255 29.993 300 HD13 LEU 38 HD13 LEU 38 19.654 -42.954 30.354 301 HD21 LEU 38 HD21 LEU 38 18.715 -41.579 28.186 302 HD22 LEU 38 HD22 LEU 38 19.460 -42.031 26.652 303 HD23 LEU 38 HD23 LEU 38 20.443 -41.326 27.936 304 H GLU 39 H GLU 39 22.671 -44.848 25.122 305 HA GLU 39 HA GLU 39 25.047 -46.197 26.192 306 HB2 GLU 39 HB2 GLU 39 24.205 -48.315 25.058 307 HB3 GLU 39 HB3 GLU 39 23.399 -47.846 26.549 308 HG2 GLU 39 HG2 GLU 39 21.527 -46.973 25.334 309 HG3 GLU 39 HG3 GLU 39 22.351 -47.233 23.797 Start of MODEL 10 1 H1 MET 1 H MET 1 1.439 -5.267 -4.637 2 HA MET 1 HA MET 1 1.276 -2.388 -4.347 3 HB2 MET 1 HB2 MET 1 -0.332 -4.188 -3.361 4 HB3 MET 1 HB3 MET 1 0.885 -4.336 -2.101 5 HG2 MET 1 HG2 MET 1 -0.132 -1.631 -2.800 6 HG3 MET 1 HG3 MET 1 -1.148 -2.708 -1.844 7 HE1 MET 1 HE1 MET 1 -0.188 -1.279 1.397 8 HE2 MET 1 HE2 MET 1 -1.357 -1.289 0.077 9 HE3 MET 1 HE3 MET 1 -0.891 -2.803 0.854 10 H ILE 2 H ILE 2 3.064 -5.060 -2.823 11 HA ILE 2 HA ILE 2 4.655 -3.406 -1.167 12 HB ILE 2 HB ILE 2 6.087 -5.376 -0.861 13 HG12 ILE 2 HG12 ILE 2 4.988 -7.499 -2.073 14 HG13 ILE 2 HG13 ILE 2 4.615 -6.278 -3.284 15 HG21 ILE 2 HG21 ILE 2 4.340 -6.904 0.020 16 HG22 ILE 2 HG22 ILE 2 4.109 -5.221 0.491 17 HG23 ILE 2 HG23 ILE 2 3.124 -5.920 -0.793 18 HD11 ILE 2 HD11 ILE 2 6.649 -6.560 -4.095 19 HD12 ILE 2 HD12 ILE 2 7.296 -5.878 -2.602 20 HD13 ILE 2 HD13 ILE 2 7.084 -7.622 -2.756 21 H SER 3 H SER 3 6.848 -2.827 -1.362 22 HA SER 3 HA SER 3 7.672 -2.357 -4.123 23 HB2 SER 3 HB2 SER 3 7.634 -0.484 -2.454 24 HB3 SER 3 HB3 SER 3 8.929 -1.301 -1.580 25 HG SER 3 HG SER 3 9.108 0.299 -3.710 26 H ASP 4 H ASP 4 9.491 -3.175 -5.036 27 HA ASP 4 HA ASP 4 10.545 -5.591 -4.108 28 HB2 ASP 4 HB2 ASP 4 10.581 -4.496 -6.486 29 HB3 ASP 4 HB3 ASP 4 12.120 -3.827 -5.951 30 H GLU 5 H GLU 5 11.671 -2.281 -3.723 31 HA GLU 5 HA GLU 5 14.214 -2.913 -2.650 32 HB2 GLU 5 HB2 GLU 5 12.475 -0.463 -2.586 33 HB3 GLU 5 HB3 GLU 5 13.974 -0.526 -1.670 34 HG2 GLU 5 HG2 GLU 5 13.703 -0.879 -4.647 35 HG3 GLU 5 HG3 GLU 5 14.296 0.559 -3.817 36 H GLN 6 H GLN 6 11.205 -1.862 -1.050 37 HA GLN 6 HA GLN 6 12.131 -2.162 1.578 38 HB2 GLN 6 HB2 GLN 6 9.346 -2.252 0.421 39 HB3 GLN 6 HB3 GLN 6 9.667 -2.311 2.149 40 HG2 GLN 6 HG2 GLN 6 10.755 -0.088 0.472 41 HG3 GLN 6 HG3 GLN 6 9.091 -0.054 1.053 42 HE21 GLN 6 HE21 GLN 6 11.825 1.326 1.665 43 HE22 GLN 6 HE22 GLN 6 11.827 1.393 3.391 44 H LEU 7 H LEU 7 10.513 -4.429 -0.594 45 HA LEU 7 HA LEU 7 10.107 -6.498 1.264 46 HB2 LEU 7 HB2 LEU 7 8.950 -6.537 -0.819 47 HB3 LEU 7 HB3 LEU 7 10.462 -6.525 -1.725 48 HG LEU 7 HG LEU 7 10.920 -8.808 -0.715 49 HD11 LEU 7 HD11 LEU 7 9.528 -9.637 0.794 50 HD12 LEU 7 HD12 LEU 7 8.200 -9.545 -0.362 51 HD13 LEU 7 HD13 LEU 7 8.545 -8.176 0.694 52 HD21 LEU 7 HD21 LEU 7 9.709 -8.072 -3.016 53 HD22 LEU 7 HD22 LEU 7 8.470 -9.114 -2.316 54 HD23 LEU 7 HD23 LEU 7 10.097 -9.740 -2.591 55 H ASN 8 H ASN 8 12.746 -5.968 -1.066 56 HA ASN 8 HA ASN 8 14.255 -8.229 -0.419 57 HB2 ASN 8 HB2 ASN 8 14.538 -6.530 -2.359 58 HB3 ASN 8 HB3 ASN 8 15.531 -5.626 -1.220 59 HD21 ASN 8 HD21 ASN 8 17.442 -6.595 -0.416 60 HD22 ASN 8 HD22 ASN 8 18.234 -7.852 -1.299 61 H SER 9 H SER 9 14.518 -4.902 0.819 62 HA SER 9 HA SER 9 16.640 -5.336 2.581 63 HB2 SER 9 HB2 SER 9 16.209 -3.088 2.322 64 HB3 SER 9 HB3 SER 9 14.460 -3.308 2.369 65 HG SER 9 HG SER 9 14.661 -2.654 4.355 66 H LEU 10 H LEU 10 13.151 -5.665 3.065 67 HA LEU 10 HA LEU 10 13.255 -6.235 5.827 68 HB2 LEU 10 HB2 LEU 10 11.247 -6.679 3.661 69 HB3 LEU 10 HB3 LEU 10 10.998 -7.408 5.247 70 HG LEU 10 HG LEU 10 11.389 -4.450 4.827 71 HD11 LEU 10 HD11 LEU 10 9.352 -5.487 3.674 72 HD12 LEU 10 HD12 LEU 10 9.078 -4.136 4.774 73 HD13 LEU 10 HD13 LEU 10 8.747 -5.785 5.304 74 HD21 LEU 10 HD21 LEU 10 11.286 -6.138 7.120 75 HD22 LEU 10 HD22 LEU 10 9.855 -5.107 7.110 76 HD23 LEU 10 HD23 LEU 10 11.463 -4.385 7.042 77 H ALA 11 H ALA 11 13.488 -8.253 2.959 78 HA ALA 11 HA ALA 11 13.271 -10.755 4.258 79 HB1 ALA 11 HB1 ALA 11 14.765 -11.339 2.084 80 HB2 ALA 11 HB2 ALA 11 13.013 -11.130 2.054 81 HB3 ALA 11 HB3 ALA 11 14.069 -9.793 1.595 82 H ILE 12 H ILE 12 16.145 -8.983 3.102 83 HA ILE 12 HA ILE 12 18.048 -10.759 4.138 84 HB ILE 12 HB ILE 12 18.673 -9.103 2.489 85 HG12 ILE 12 HG12 ILE 12 20.732 -8.232 3.543 86 HG13 ILE 12 HG13 ILE 12 20.078 -8.632 5.128 87 HG21 ILE 12 HG21 ILE 12 18.255 -7.010 4.616 88 HG22 ILE 12 HG22 ILE 12 18.763 -6.746 2.949 89 HG23 ILE 12 HG23 ILE 12 17.135 -7.329 3.292 90 HD11 ILE 12 HD11 ILE 12 20.421 -10.868 4.855 91 HD12 ILE 12 HD12 ILE 12 20.287 -10.788 3.098 92 HD13 ILE 12 HD13 ILE 12 21.755 -10.225 3.897 93 H THR 13 H THR 13 16.487 -7.931 5.563 94 HA THR 13 HA THR 13 18.047 -7.767 7.895 95 HB THR 13 HB THR 13 15.161 -6.963 7.475 96 HG1 THR 13 HG1 THR 13 15.970 -5.159 6.668 97 HG21 THR 13 HG21 THR 13 15.687 -5.383 9.392 98 HG22 THR 13 HG22 THR 13 17.103 -6.387 9.705 99 HG23 THR 13 HG23 THR 13 15.486 -7.082 9.818 100 H PHE 14 H PHE 14 14.900 -9.344 7.339 101 HA PHE 14 HA PHE 14 14.645 -10.414 9.930 102 HB2 PHE 14 HB2 PHE 14 12.861 -10.181 8.086 103 HB3 PHE 14 HB3 PHE 14 13.488 -11.707 7.471 104 HD1 PHE 14 HD1 PHE 14 12.184 -13.502 8.016 105 HD2 PHE 14 HD2 PHE 14 12.621 -10.348 10.841 106 HE1 PHE 14 HE1 PHE 14 10.756 -14.728 9.600 107 HE2 PHE 14 HE2 PHE 14 11.195 -11.570 12.431 108 HZ PHE 14 HZ PHE 14 10.261 -13.763 11.812 109 H GLY 15 H GLY 15 16.271 -11.562 7.048 110 HA2 GLY 15 HA2 GLY 15 16.652 -14.244 7.869 111 HA3 GLY 15 HA3 GLY 15 17.602 -13.393 6.660 112 H ILE 16 H ILE 16 18.945 -11.510 7.903 113 HA ILE 16 HA ILE 16 20.978 -12.875 9.277 114 HB ILE 16 HB ILE 16 21.439 -10.821 8.065 115 HG12 ILE 16 HG12 ILE 16 21.972 -10.119 10.933 116 HG13 ILE 16 HG13 ILE 16 22.704 -11.559 10.233 117 HG21 ILE 16 HG21 ILE 16 20.651 -8.683 8.720 118 HG22 ILE 16 HG22 ILE 16 19.245 -9.745 8.671 119 HG23 ILE 16 HG23 ILE 16 19.972 -9.317 10.219 120 HD11 ILE 16 HD11 ILE 16 24.045 -10.351 8.820 121 HD12 ILE 16 HD12 ILE 16 22.972 -8.951 8.821 122 HD13 ILE 16 HD13 ILE 16 23.978 -9.293 10.229 123 H VAL 17 H VAL 17 18.367 -10.784 10.450 124 HA VAL 17 HA VAL 17 19.127 -10.753 13.158 125 HB VAL 17 HB VAL 17 16.396 -10.447 11.906 126 HG11 VAL 17 HG11 VAL 17 17.280 -10.430 14.728 127 HG12 VAL 17 HG12 VAL 17 16.159 -9.158 14.238 128 HG13 VAL 17 HG13 VAL 17 15.718 -10.854 14.030 129 HG21 VAL 17 HG21 VAL 17 16.938 -8.323 11.498 130 HG22 VAL 17 HG22 VAL 17 17.613 -8.107 13.113 131 HG23 VAL 17 HG23 VAL 17 18.609 -8.783 11.825 132 H MET 18 H MET 18 16.721 -12.773 11.472 133 HA MET 18 HA MET 18 15.979 -14.337 13.662 134 HB2 MET 18 HB2 MET 18 14.835 -14.223 11.417 135 HB3 MET 18 HB3 MET 18 16.094 -15.282 10.797 136 HG2 MET 18 HG2 MET 18 15.095 -17.085 11.607 137 HG3 MET 18 HG3 MET 18 14.920 -16.355 13.201 138 HE1 MET 18 HE1 MET 18 11.354 -15.684 13.575 139 HE2 MET 18 HE2 MET 18 12.375 -17.079 13.923 140 HE3 MET 18 HE3 MET 18 12.996 -15.447 14.173 141 H MET 19 H MET 19 18.420 -14.988 11.152 142 HA MET 19 HA MET 19 19.290 -17.458 12.092 143 HB2 MET 19 HB2 MET 19 19.924 -16.505 9.907 144 HB3 MET 19 HB3 MET 19 20.935 -15.322 10.724 145 HG2 MET 19 HG2 MET 19 22.023 -17.495 11.756 146 HG3 MET 19 HG3 MET 19 21.375 -18.220 10.287 147 HE1 MET 19 HE1 MET 19 24.382 -18.631 10.250 148 HE2 MET 19 HE2 MET 19 25.399 -17.190 10.216 149 HE3 MET 19 HE3 MET 19 24.391 -17.526 11.624 150 H THR 20 H THR 20 20.363 -14.197 12.957 151 HA THR 20 HA THR 20 22.503 -14.925 14.614 152 HB THR 20 HB THR 20 20.711 -12.495 14.803 153 HG1 THR 20 HG1 THR 20 23.231 -12.908 13.528 154 HG21 THR 20 HG21 THR 20 23.000 -11.614 15.801 155 HG22 THR 20 HG22 THR 20 23.181 -13.310 16.253 156 HG23 THR 20 HG23 THR 20 21.789 -12.388 16.822 157 H LEU 21 H LEU 21 19.128 -14.157 15.464 158 HA LEU 21 HA LEU 21 19.328 -14.577 18.210 159 HB2 LEU 21 HB2 LEU 21 16.962 -15.086 16.412 160 HB3 LEU 21 HB3 LEU 21 16.900 -14.924 18.166 161 HG LEU 21 HG LEU 21 18.007 -12.668 16.564 162 HD11 LEU 21 HD11 LEU 21 15.350 -12.031 16.833 163 HD12 LEU 21 HD12 LEU 21 15.301 -13.715 16.313 164 HD13 LEU 21 HD13 LEU 21 16.150 -12.516 15.338 165 HD21 LEU 21 HD21 LEU 21 16.309 -12.825 19.053 166 HD22 LEU 21 HD22 LEU 21 17.006 -11.360 18.359 167 HD23 LEU 21 HD23 LEU 21 18.060 -12.617 19.011 168 H ILE 22 H ILE 22 18.609 -16.864 15.605 169 HA ILE 22 HA ILE 22 18.104 -19.089 17.279 170 HB ILE 22 HB ILE 22 19.053 -19.047 14.412 171 HG12 ILE 22 HG12 ILE 22 16.241 -19.549 15.348 172 HG13 ILE 22 HG13 ILE 22 16.823 -17.907 15.095 173 HG21 ILE 22 HG21 ILE 22 19.358 -21.237 14.757 174 HG22 ILE 22 HG22 ILE 22 18.467 -21.216 16.278 175 HG23 ILE 22 HG23 ILE 22 17.597 -21.335 14.748 176 HD11 ILE 22 HD11 ILE 22 15.833 -19.762 13.192 177 HD12 ILE 22 HD12 ILE 22 16.355 -18.095 12.948 178 HD13 ILE 22 HD13 ILE 22 17.519 -19.412 12.810 179 H ASP 23 H ASP 23 21.026 -17.767 15.845 180 HA ASP 23 HA ASP 23 22.720 -19.965 16.394 181 HB2 ASP 23 HB2 ASP 23 23.492 -18.393 14.797 182 HB3 ASP 23 HB3 ASP 23 23.248 -17.039 15.897 183 H ILE 24 H ILE 24 22.228 -16.892 18.128 184 HA ILE 24 HA ILE 24 23.934 -17.507 20.285 185 HB ILE 24 HB ILE 24 23.263 -15.217 19.841 186 HG12 ILE 24 HG12 ILE 24 22.640 -14.542 22.145 187 HG13 ILE 24 HG13 ILE 24 22.254 -16.219 22.513 188 HG21 ILE 24 HG21 ILE 24 21.026 -14.410 20.203 189 HG22 ILE 24 HG22 ILE 24 20.971 -15.751 19.060 190 HG23 ILE 24 HG23 ILE 24 20.495 -16.004 20.739 191 HD11 ILE 24 HD11 ILE 24 24.350 -16.528 23.127 192 HD12 ILE 24 HD12 ILE 24 24.869 -16.193 21.475 193 HD13 ILE 24 HD13 ILE 24 24.760 -14.881 22.649 194 H TYR 25 H TYR 25 20.484 -18.026 19.762 195 HA TYR 25 HA TYR 25 19.927 -18.932 22.400 196 HB2 TYR 25 HB2 TYR 25 18.122 -18.099 21.041 197 HB3 TYR 25 HB3 TYR 25 18.443 -19.296 19.792 198 HD1 TYR 25 HD1 TYR 25 18.239 -19.767 23.480 199 HD2 TYR 25 HD2 TYR 25 16.479 -20.552 19.687 200 HE1 TYR 25 HE1 TYR 25 16.639 -21.301 24.546 201 HE2 TYR 25 HE2 TYR 25 14.873 -22.087 20.743 202 HH TYR 25 HH TYR 25 14.431 -22.252 24.113 203 H HIS 26 H HIS 26 20.810 -20.533 19.386 204 HA HIS 26 HA HIS 26 20.410 -23.186 20.301 205 HB2 HIS 26 HB2 HIS 26 20.496 -22.788 17.938 206 HB3 HIS 26 HB3 HIS 26 22.092 -22.053 18.062 207 HD1 HIS 26 HD1 HIS 26 21.099 -25.343 19.634 208 HD2 HIS 26 HD2 HIS 26 23.493 -23.878 16.571 209 HE1 HIS 26 HE1 HIS 26 22.427 -27.316 18.817 210 H ALA 27 H ALA 27 23.213 -21.036 20.258 211 HA ALA 27 HA ALA 27 25.080 -22.958 21.191 212 HB1 ALA 27 HB1 ALA 27 26.575 -21.104 21.528 213 HB2 ALA 27 HB2 ALA 27 25.700 -20.868 20.015 214 HB3 ALA 27 HB3 ALA 27 25.235 -19.959 21.453 215 H VAL 28 H VAL 28 23.342 -20.325 22.849 216 HA VAL 28 HA VAL 28 24.328 -20.861 25.423 217 HB VAL 28 HB VAL 28 21.696 -19.603 24.633 218 HG11 VAL 28 HG11 VAL 28 21.776 -18.578 26.882 219 HG12 VAL 28 HG12 VAL 28 21.611 -20.335 26.933 220 HG13 VAL 28 HG13 VAL 28 23.174 -19.584 27.262 221 HG21 VAL 28 HG21 VAL 28 23.918 -17.951 25.631 222 HG22 VAL 28 HG22 VAL 28 24.168 -18.675 24.042 223 HG23 VAL 28 HG23 VAL 28 22.767 -17.642 24.330 224 H ASP 29 H ASP 29 21.520 -22.097 23.683 225 HA ASP 29 HA ASP 29 20.415 -23.506 25.897 226 HB2 ASP 29 HB2 ASP 29 19.139 -22.814 23.850 227 HB3 ASP 29 HB3 ASP 29 19.991 -24.071 22.958 228 H SER 30 H SER 30 22.628 -24.357 23.291 229 HA SER 30 HA SER 30 22.686 -27.138 23.770 230 HB2 SER 30 HB2 SER 30 24.621 -27.188 22.350 231 HB3 SER 30 HB3 SER 30 23.525 -25.969 21.699 232 HG SER 30 HG SER 30 26.016 -25.674 22.886 233 H THR 31 H THR 31 24.764 -24.495 24.904 234 HA THR 31 HA THR 31 26.464 -26.192 26.445 235 HB THR 31 HB THR 31 27.253 -24.019 25.630 236 HG1 THR 31 HG1 THR 31 28.310 -24.766 27.452 237 HG21 THR 31 HG21 THR 31 26.441 -21.947 26.437 238 HG22 THR 31 HG22 THR 31 25.471 -22.728 27.685 239 HG23 THR 31 HG23 THR 31 25.013 -22.879 25.989 240 H MET 32 H MET 32 23.565 -24.321 27.105 241 HA MET 32 HA MET 32 23.687 -24.582 29.940 242 HB2 MET 32 HB2 MET 32 22.405 -22.803 28.787 243 HB3 MET 32 HB3 MET 32 21.292 -24.023 28.183 244 HG2 MET 32 HG2 MET 32 20.505 -24.510 30.366 245 HG3 MET 32 HG3 MET 32 21.785 -23.552 31.107 246 HE1 MET 32 HE1 MET 32 20.276 -20.686 32.076 247 HE2 MET 32 HE2 MET 32 21.750 -21.613 31.797 248 HE3 MET 32 HE3 MET 32 21.350 -20.254 30.745 249 H SER 33 H SER 33 22.127 -26.399 27.350 250 HA SER 33 HA SER 33 21.678 -28.590 29.245 251 HB2 SER 33 HB2 SER 33 19.451 -29.025 28.225 252 HB3 SER 33 HB3 SER 33 19.524 -27.474 29.062 253 HG SER 33 HG SER 33 19.599 -26.429 27.132 254 HA PRO 34 HA PRO 34 23.725 -29.889 25.258 255 HB2 PRO 34 HB2 PRO 34 25.794 -31.183 26.449 256 HB3 PRO 34 HB3 PRO 34 25.831 -29.457 26.068 257 HG2 PRO 34 HG2 PRO 34 25.248 -30.809 28.675 258 HG3 PRO 34 HG3 PRO 34 26.243 -29.376 28.356 259 HD2 PRO 34 HD2 PRO 34 23.711 -29.211 29.300 260 HD3 PRO 34 HD3 PRO 34 24.414 -27.979 28.232 261 H LYS 35 H LYS 35 22.669 -31.577 24.435 262 HA LYS 35 HA LYS 35 22.918 -34.183 25.622 263 HB2 LYS 35 HB2 LYS 35 20.460 -34.595 25.720 264 HB3 LYS 35 HB3 LYS 35 21.032 -33.439 26.916 265 HG2 LYS 35 HG2 LYS 35 20.109 -31.618 25.757 266 HG3 LYS 35 HG3 LYS 35 19.873 -32.569 24.288 267 HD2 LYS 35 HD2 LYS 35 18.467 -33.172 26.882 268 HD3 LYS 35 HD3 LYS 35 17.795 -32.103 25.649 269 HE2 LYS 35 HE2 LYS 35 18.042 -33.997 24.019 270 HE3 LYS 35 HE3 LYS 35 18.458 -35.031 25.385 271 HZ1 LYS 35 HZ1 LYS 35 16.013 -34.867 24.550 272 HZ2 LYS 35 HZ2 LYS 35 15.978 -33.463 25.493 273 HZ3 LYS 35 HZ3 LYS 35 16.340 -34.953 26.208 274 H ASN 36 H ASN 36 22.337 -35.872 24.195 275 HA ASN 36 HA ASN 36 22.455 -35.102 21.412 276 HB2 ASN 36 HB2 ASN 36 23.642 -37.109 22.632 277 HB3 ASN 36 HB3 ASN 36 22.124 -37.940 22.308 278 HD21 ASN 36 HD21 ASN 36 22.272 -39.165 20.587 279 HD22 ASN 36 HD22 ASN 36 23.117 -38.784 19.129 280 H ARG 37 H ARG 37 20.919 -35.525 19.841 281 HA ARG 37 HA ARG 37 18.312 -36.529 20.743 282 HB2 ARG 37 HB2 ARG 37 18.375 -34.003 20.737 283 HB3 ARG 37 HB3 ARG 37 18.614 -34.085 18.997 284 HG2 ARG 37 HG2 ARG 37 16.477 -35.113 18.685 285 HG3 ARG 37 HG3 ARG 37 16.252 -35.277 20.428 286 HD2 ARG 37 HD2 ARG 37 16.267 -32.830 20.643 287 HD3 ARG 37 HD3 ARG 37 16.454 -32.687 18.895 288 HE ARG 37 HE ARG 37 14.151 -34.211 19.701 289 HH11 ARG 37 HH11 ARG 37 15.397 -31.031 19.027 290 HH12 ARG 37 HH12 ARG 37 13.843 -30.357 18.663 291 HH21 ARG 37 HH21 ARG 37 12.100 -33.336 19.224 292 HH22 ARG 37 HH22 ARG 37 11.968 -31.669 18.776 293 H LEU 38 H LEU 38 17.528 -38.035 19.427 294 HA LEU 38 HA LEU 38 18.907 -38.855 17.100 295 HB2 LEU 38 HB2 LEU 38 17.676 -40.443 18.417 296 HB3 LEU 38 HB3 LEU 38 16.174 -39.561 18.151 297 HG LEU 38 HG LEU 38 16.442 -40.126 15.692 298 HD11 LEU 38 HD11 LEU 38 18.657 -41.751 16.874 299 HD12 LEU 38 HD12 LEU 38 18.645 -40.770 15.408 300 HD13 LEU 38 HD13 LEU 38 17.796 -42.316 15.441 301 HD21 LEU 38 HD21 LEU 38 15.318 -41.530 17.820 302 HD22 LEU 38 HD22 LEU 38 16.157 -42.750 16.861 303 HD23 LEU 38 HD23 LEU 38 14.943 -41.715 16.107 304 H GLU 39 H GLU 39 18.666 -38.335 15.013 305 HA GLU 39 HA GLU 39 16.548 -36.416 14.330 306 HB2 GLU 39 HB2 GLU 39 19.189 -36.994 12.979 307 HB3 GLU 39 HB3 GLU 39 17.990 -35.860 12.374 308 HG2 GLU 39 HG2 GLU 39 18.408 -34.321 14.014 309 HG3 GLU 39 HG3 GLU 39 18.990 -35.532 15.155 Start of MODEL 11 1 H1 MET 1 H MET 1 1.365 -3.987 -6.563 2 HA MET 1 HA MET 1 2.052 -1.489 -5.836 3 HB2 MET 1 HB2 MET 1 -0.033 -2.883 -5.207 4 HB3 MET 1 HB3 MET 1 0.869 -3.312 -3.760 5 HG2 MET 1 HG2 MET 1 -0.385 -1.512 -3.061 6 HG3 MET 1 HG3 MET 1 1.162 -0.771 -3.461 7 HE1 MET 1 HE1 MET 1 0.188 2.042 -5.566 8 HE2 MET 1 HE2 MET 1 0.166 1.783 -3.822 9 HE3 MET 1 HE3 MET 1 1.470 1.106 -4.798 10 H ILE 2 H ILE 2 3.179 -4.445 -4.263 11 HA ILE 2 HA ILE 2 4.526 -3.258 -2.110 12 HB ILE 2 HB ILE 2 5.816 -5.333 -1.957 13 HG12 ILE 2 HG12 ILE 2 4.874 -7.071 -3.814 14 HG13 ILE 2 HG13 ILE 2 4.919 -5.590 -4.764 15 HG21 ILE 2 HG21 ILE 2 3.446 -5.175 -1.165 16 HG22 ILE 2 HG22 ILE 2 2.958 -5.955 -2.669 17 HG23 ILE 2 HG23 ILE 2 3.995 -6.811 -1.529 18 HD11 ILE 2 HD11 ILE 2 7.352 -5.552 -3.534 19 HD12 ILE 2 HD12 ILE 2 7.095 -7.275 -3.809 20 HD13 ILE 2 HD13 ILE 2 7.036 -6.148 -5.164 21 H SER 3 H SER 3 6.754 -2.840 -1.782 22 HA SER 3 HA SER 3 8.124 -1.973 -4.228 23 HB2 SER 3 HB2 SER 3 8.531 -1.173 -1.337 24 HB3 SER 3 HB3 SER 3 9.506 -0.581 -2.683 25 HG SER 3 HG SER 3 7.939 0.713 -3.243 26 H ASP 4 H ASP 4 10.091 -2.734 -4.804 27 HA ASP 4 HA ASP 4 10.962 -5.215 -3.748 28 HB2 ASP 4 HB2 ASP 4 11.964 -3.312 -5.817 29 HB3 ASP 4 HB3 ASP 4 13.068 -4.546 -5.216 30 H GLU 5 H GLU 5 12.004 -1.889 -3.287 31 HA GLU 5 HA GLU 5 14.426 -2.407 -1.959 32 HB2 GLU 5 HB2 GLU 5 12.529 -0.082 -1.996 33 HB3 GLU 5 HB3 GLU 5 13.902 -0.085 -0.898 34 HG2 GLU 5 HG2 GLU 5 14.024 -0.309 -3.897 35 HG3 GLU 5 HG3 GLU 5 14.427 1.112 -2.935 36 H GLN 6 H GLN 6 11.206 -1.667 -0.619 37 HA GLN 6 HA GLN 6 11.926 -2.029 2.076 38 HB2 GLN 6 HB2 GLN 6 9.766 -1.012 0.920 39 HB3 GLN 6 HB3 GLN 6 9.148 -2.638 1.178 40 HG2 GLN 6 HG2 GLN 6 8.541 -1.121 2.992 41 HG3 GLN 6 HG3 GLN 6 9.551 -2.453 3.552 42 HE21 GLN 6 HE21 GLN 6 10.054 -1.174 5.391 43 HE22 GLN 6 HE22 GLN 6 11.233 0.084 5.293 44 H LEU 7 H LEU 7 10.531 -4.249 -0.306 45 HA LEU 7 HA LEU 7 10.141 -6.428 1.423 46 HB2 LEU 7 HB2 LEU 7 9.100 -6.348 -0.747 47 HB3 LEU 7 HB3 LEU 7 10.674 -6.338 -1.541 48 HG LEU 7 HG LEU 7 10.912 -8.663 -0.292 49 HD11 LEU 7 HD11 LEU 7 8.984 -8.978 0.879 50 HD12 LEU 7 HD12 LEU 7 8.509 -9.701 -0.657 51 HD13 LEU 7 HD13 LEU 7 8.005 -8.058 -0.264 52 HD21 LEU 7 HD21 LEU 7 10.439 -7.824 -2.877 53 HD22 LEU 7 HD22 LEU 7 9.179 -9.026 -2.596 54 HD23 LEU 7 HD23 LEU 7 10.875 -9.457 -2.374 55 H ASN 8 H ASN 8 12.855 -5.663 -0.749 56 HA ASN 8 HA ASN 8 14.435 -7.887 -0.169 57 HB2 ASN 8 HB2 ASN 8 15.032 -5.119 -1.156 58 HB3 ASN 8 HB3 ASN 8 16.358 -6.212 -0.768 59 HD21 ASN 8 HD21 ASN 8 17.082 -6.455 -2.835 60 HD22 ASN 8 HD22 ASN 8 16.188 -7.273 -4.066 61 H SER 9 H SER 9 14.483 -4.649 1.309 62 HA SER 9 HA SER 9 16.525 -5.141 3.158 63 HB2 SER 9 HB2 SER 9 15.389 -2.908 2.503 64 HB3 SER 9 HB3 SER 9 14.214 -3.308 3.756 65 HG SER 9 HG SER 9 17.022 -3.067 4.106 66 H LEU 10 H LEU 10 13.030 -5.614 3.385 67 HA LEU 10 HA LEU 10 12.967 -6.329 6.116 68 HB2 LEU 10 HB2 LEU 10 11.140 -6.350 3.845 69 HB3 LEU 10 HB3 LEU 10 10.863 -7.682 4.966 70 HG LEU 10 HG LEU 10 10.688 -5.979 6.800 71 HD11 LEU 10 HD11 LEU 10 10.336 -3.954 4.619 72 HD12 LEU 10 HD12 LEU 10 11.904 -4.225 5.379 73 HD13 LEU 10 HD13 LEU 10 10.532 -3.698 6.353 74 HD21 LEU 10 HD21 LEU 10 8.584 -6.611 6.332 75 HD22 LEU 10 HD22 LEU 10 8.804 -6.427 4.592 76 HD23 LEU 10 HD23 LEU 10 8.460 -5.015 5.593 77 H ALA 11 H ALA 11 13.483 -8.174 3.170 78 HA ALA 11 HA ALA 11 13.287 -10.748 4.336 79 HB1 ALA 11 HB1 ALA 11 14.991 -11.026 2.178 80 HB2 ALA 11 HB2 ALA 11 13.233 -11.166 2.149 81 HB3 ALA 11 HB3 ALA 11 14.002 -9.628 1.758 82 H ILE 12 H ILE 12 16.136 -8.812 3.409 83 HA ILE 12 HA ILE 12 18.067 -10.555 4.437 84 HB ILE 12 HB ILE 12 18.691 -8.767 2.932 85 HG12 ILE 12 HG12 ILE 12 20.648 -7.866 4.155 86 HG13 ILE 12 HG13 ILE 12 19.939 -8.420 5.668 87 HG21 ILE 12 HG21 ILE 12 18.085 -6.832 5.161 88 HG22 ILE 12 HG22 ILE 12 18.632 -6.446 3.530 89 HG23 ILE 12 HG23 ILE 12 17.025 -7.126 3.783 90 HD11 ILE 12 HD11 ILE 12 20.800 -10.165 3.373 91 HD12 ILE 12 HD12 ILE 12 21.655 -9.945 4.901 92 HD13 ILE 12 HD13 ILE 12 20.075 -10.727 4.879 93 H THR 13 H THR 13 16.322 -7.884 5.955 94 HA THR 13 HA THR 13 17.756 -7.846 8.379 95 HB THR 13 HB THR 13 15.655 -6.776 9.315 96 HG1 THR 13 HG1 THR 13 13.902 -6.982 8.162 97 HG21 THR 13 HG21 THR 13 17.098 -5.142 8.657 98 HG22 THR 13 HG22 THR 13 15.836 -4.862 7.458 99 HG23 THR 13 HG23 THR 13 17.269 -5.797 7.029 100 H PHE 14 H PHE 14 14.710 -9.461 7.497 101 HA PHE 14 HA PHE 14 14.270 -10.675 9.997 102 HB2 PHE 14 HB2 PHE 14 12.680 -10.407 7.952 103 HB3 PHE 14 HB3 PHE 14 13.378 -11.933 7.420 104 HD1 PHE 14 HD1 PHE 14 12.009 -13.717 7.827 105 HD2 PHE 14 HD2 PHE 14 12.181 -10.566 10.684 106 HE1 PHE 14 HE1 PHE 14 10.431 -14.939 9.266 107 HE2 PHE 14 HE2 PHE 14 10.604 -11.784 12.127 108 HZ PHE 14 HZ PHE 14 9.727 -13.974 11.419 109 H GLY 15 H GLY 15 16.185 -11.617 7.220 110 HA2 GLY 15 HA2 GLY 15 16.598 -14.323 7.979 111 HA3 GLY 15 HA3 GLY 15 17.581 -13.406 6.848 112 H ILE 16 H ILE 16 18.778 -11.507 8.211 113 HA ILE 16 HA ILE 16 20.797 -12.813 9.643 114 HB ILE 16 HB ILE 16 21.201 -10.679 8.560 115 HG12 ILE 16 HG12 ILE 16 22.430 -9.551 10.368 116 HG13 ILE 16 HG13 ILE 16 21.523 -10.473 11.563 117 HG21 ILE 16 HG21 ILE 16 19.538 -9.365 10.695 118 HG22 ILE 16 HG22 ILE 16 20.251 -8.625 9.262 119 HG23 ILE 16 HG23 ILE 16 18.914 -9.763 9.094 120 HD11 ILE 16 HD11 ILE 16 23.191 -11.822 9.473 121 HD12 ILE 16 HD12 ILE 16 23.875 -11.255 10.996 122 HD13 ILE 16 HD13 ILE 16 22.595 -12.467 11.002 123 H VAL 17 H VAL 17 18.015 -10.929 10.774 124 HA VAL 17 HA VAL 17 18.637 -11.013 13.519 125 HB VAL 17 HB VAL 17 15.962 -10.749 12.144 126 HG11 VAL 17 HG11 VAL 17 15.212 -11.303 14.214 127 HG12 VAL 17 HG12 VAL 17 16.712 -10.821 15.008 128 HG13 VAL 17 HG13 VAL 17 15.542 -9.597 14.513 129 HG21 VAL 17 HG21 VAL 17 17.953 -9.010 11.975 130 HG22 VAL 17 HG22 VAL 17 16.275 -8.489 12.126 131 HG23 VAL 17 HG23 VAL 17 17.323 -8.512 13.545 132 H MET 18 H MET 18 16.424 -13.034 11.589 133 HA MET 18 HA MET 18 15.655 -14.751 13.664 134 HB2 MET 18 HB2 MET 18 14.525 -14.561 11.449 135 HB3 MET 18 HB3 MET 18 15.871 -15.431 10.726 136 HG2 MET 18 HG2 MET 18 14.306 -17.090 11.028 137 HG3 MET 18 HG3 MET 18 15.320 -17.259 12.459 138 HE1 MET 18 HE1 MET 18 14.423 -17.735 14.530 139 HE2 MET 18 HE2 MET 18 12.730 -17.618 15.011 140 HE3 MET 18 HE3 MET 18 13.201 -18.693 13.694 141 H MET 19 H MET 19 18.196 -15.139 11.199 142 HA MET 19 HA MET 19 19.126 -17.639 11.990 143 HB2 MET 19 HB2 MET 19 19.762 -16.313 9.917 144 HB3 MET 19 HB3 MET 19 20.887 -15.428 10.938 145 HG2 MET 19 HG2 MET 19 22.073 -17.478 11.453 146 HG3 MET 19 HG3 MET 19 20.918 -18.404 10.498 147 HE1 MET 19 HE1 MET 19 24.699 -17.859 9.181 148 HE2 MET 19 HE2 MET 19 23.739 -18.670 10.419 149 HE3 MET 19 HE3 MET 19 23.630 -19.190 8.737 150 H THR 20 H THR 20 20.043 -14.414 13.127 151 HA THR 20 HA THR 20 22.133 -15.239 14.832 152 HB THR 20 HB THR 20 20.366 -12.791 15.027 153 HG1 THR 20 HG1 THR 20 21.714 -13.113 13.085 154 HG21 THR 20 HG21 THR 20 22.689 -12.041 16.147 155 HG22 THR 20 HG22 THR 20 22.674 -13.740 16.618 156 HG23 THR 20 HG23 THR 20 21.338 -12.686 17.077 157 H LEU 21 H LEU 21 18.675 -14.719 15.397 158 HA LEU 21 HA LEU 21 18.674 -15.090 18.171 159 HB2 LEU 21 HB2 LEU 21 16.558 -15.629 16.099 160 HB3 LEU 21 HB3 LEU 21 16.270 -15.750 17.833 161 HG LEU 21 HG LEU 21 17.259 -13.204 16.587 162 HD11 LEU 21 HD11 LEU 21 15.185 -13.947 15.433 163 HD12 LEU 21 HD12 LEU 21 15.004 -12.442 16.334 164 HD13 LEU 21 HD13 LEU 21 14.368 -13.948 16.996 165 HD21 LEU 21 HD21 LEU 21 15.696 -12.504 18.645 166 HD22 LEU 21 HD22 LEU 21 17.416 -12.855 18.817 167 HD23 LEU 21 HD23 LEU 21 16.219 -14.091 19.207 168 H ILE 22 H ILE 22 17.983 -17.447 15.587 169 HA ILE 22 HA ILE 22 17.718 -19.669 17.302 170 HB ILE 22 HB ILE 22 17.986 -21.050 15.294 171 HG12 ILE 22 HG12 ILE 22 18.680 -18.432 13.944 172 HG13 ILE 22 HG13 ILE 22 19.768 -19.793 14.193 173 HG21 ILE 22 HG21 ILE 22 16.014 -19.115 15.772 174 HG22 ILE 22 HG22 ILE 22 16.320 -19.083 14.036 175 HG23 ILE 22 HG23 ILE 22 15.865 -20.594 14.823 176 HD11 ILE 22 HD11 ILE 22 17.810 -21.025 12.845 177 HD12 ILE 22 HD12 ILE 22 17.657 -19.396 12.184 178 HD13 ILE 22 HD13 ILE 22 19.194 -20.254 12.072 179 H ASP 23 H ASP 23 20.487 -18.189 15.745 180 HA ASP 23 HA ASP 23 22.340 -20.270 16.105 181 HB2 ASP 23 HB2 ASP 23 22.914 -18.484 14.631 182 HB3 ASP 23 HB3 ASP 23 22.686 -17.279 15.895 183 H ILE 24 H ILE 24 21.697 -17.402 18.118 184 HA ILE 24 HA ILE 24 23.506 -18.100 20.170 185 HB ILE 24 HB ILE 24 21.051 -16.348 20.328 186 HG12 ILE 24 HG12 ILE 24 22.714 -15.623 18.644 187 HG13 ILE 24 HG13 ILE 24 22.588 -14.490 19.986 188 HG21 ILE 24 HG21 ILE 24 22.816 -15.400 22.176 189 HG22 ILE 24 HG22 ILE 24 21.452 -16.459 22.530 190 HG23 ILE 24 HG23 ILE 24 23.062 -17.142 22.301 191 HD11 ILE 24 HD11 ILE 24 24.609 -16.350 20.637 192 HD12 ILE 24 HD12 ILE 24 24.885 -15.813 18.980 193 HD13 ILE 24 HD13 ILE 24 24.769 -14.630 20.282 194 H TYR 25 H TYR 25 19.992 -18.533 19.868 195 HA TYR 25 HA TYR 25 19.569 -19.729 22.366 196 HB2 TYR 25 HB2 TYR 25 17.861 -18.855 20.619 197 HB3 TYR 25 HB3 TYR 25 17.966 -20.473 19.935 198 HD1 TYR 25 HD1 TYR 25 17.796 -19.159 23.435 199 HD2 TYR 25 HD2 TYR 25 16.101 -21.709 20.481 200 HE1 TYR 25 HE1 TYR 25 16.147 -19.954 25.076 201 HE2 TYR 25 HE2 TYR 25 14.445 -22.510 22.114 202 HH TYR 25 HH TYR 25 13.995 -20.995 25.167 203 H HIS 26 H HIS 26 20.512 -21.087 19.258 204 HA HIS 26 HA HIS 26 20.246 -23.811 19.992 205 HB2 HIS 26 HB2 HIS 26 20.318 -23.245 17.661 206 HB3 HIS 26 HB3 HIS 26 21.880 -22.452 17.845 207 HD1 HIS 26 HD1 HIS 26 23.911 -23.862 17.480 208 HD2 HIS 26 HD2 HIS 26 20.467 -26.138 17.955 209 HE1 HIS 26 HE1 HIS 26 24.594 -26.229 16.974 210 H ALA 27 H ALA 27 23.111 -21.703 19.764 211 HA ALA 27 HA ALA 27 24.986 -23.546 20.701 212 HB1 ALA 27 HB1 ALA 27 24.941 -20.787 20.033 213 HB2 ALA 27 HB2 ALA 27 25.745 -20.962 21.593 214 HB3 ALA 27 HB3 ALA 27 26.332 -21.859 20.193 215 H VAL 28 H VAL 28 23.195 -21.051 22.509 216 HA VAL 28 HA VAL 28 24.242 -21.643 25.038 217 HB VAL 28 HB VAL 28 21.516 -20.528 24.362 218 HG11 VAL 28 HG11 VAL 28 21.944 -19.454 26.704 219 HG12 VAL 28 HG12 VAL 28 21.302 -21.093 26.586 220 HG13 VAL 28 HG13 VAL 28 23.014 -20.838 26.926 221 HG21 VAL 28 HG21 VAL 28 22.468 -18.543 23.974 222 HG22 VAL 28 HG22 VAL 28 23.558 -18.698 25.352 223 HG23 VAL 28 HG23 VAL 28 23.978 -19.438 23.807 224 H ASP 29 H ASP 29 21.371 -22.885 23.374 225 HA ASP 29 HA ASP 29 20.423 -24.466 25.514 226 HB2 ASP 29 HB2 ASP 29 19.022 -23.826 23.589 227 HB3 ASP 29 HB3 ASP 29 20.005 -24.846 22.541 228 H SER 30 H SER 30 22.702 -25.079 22.909 229 HA SER 30 HA SER 30 22.907 -27.877 23.283 230 HB2 SER 30 HB2 SER 30 23.669 -26.935 21.210 231 HB3 SER 30 HB3 SER 30 24.797 -25.867 22.045 232 HG SER 30 HG SER 30 26.190 -27.417 21.892 233 H THR 31 H THR 31 24.928 -25.176 24.411 234 HA THR 31 HA THR 31 26.694 -26.818 25.918 235 HB THR 31 HB THR 31 27.379 -24.598 25.148 236 HG1 THR 31 HG1 THR 31 28.616 -24.409 26.866 237 HG21 THR 31 HG21 THR 31 25.493 -23.463 27.210 238 HG22 THR 31 HG22 THR 31 25.128 -23.535 25.486 239 HG23 THR 31 HG23 THR 31 26.491 -22.575 26.060 240 H MET 32 H MET 32 23.723 -25.092 26.656 241 HA MET 32 HA MET 32 23.896 -25.428 29.484 242 HB2 MET 32 HB2 MET 32 22.524 -23.683 28.280 243 HB3 MET 32 HB3 MET 32 21.395 -24.964 27.858 244 HG2 MET 32 HG2 MET 32 20.715 -25.263 30.058 245 HG3 MET 32 HG3 MET 32 22.144 -24.462 30.708 246 HE1 MET 32 HE1 MET 32 18.761 -22.402 28.451 247 HE2 MET 32 HE2 MET 32 19.326 -24.065 28.293 248 HE3 MET 32 HE3 MET 32 18.262 -23.618 29.627 249 H SER 33 H SER 33 22.363 -27.215 26.857 250 HA SER 33 HA SER 33 21.994 -29.470 28.698 251 HB2 SER 33 HB2 SER 33 19.819 -28.247 28.392 252 HB3 SER 33 HB3 SER 33 19.904 -28.637 26.674 253 HG SER 33 HG SER 33 18.891 -30.377 27.308 254 HA PRO 34 HA PRO 34 24.109 -30.606 24.695 255 HB2 PRO 34 HB2 PRO 34 26.217 -31.848 25.870 256 HB3 PRO 34 HB3 PRO 34 26.194 -30.115 25.526 257 HG2 PRO 34 HG2 PRO 34 25.648 -31.543 28.100 258 HG3 PRO 34 HG3 PRO 34 26.591 -30.068 27.817 259 HD2 PRO 34 HD2 PRO 34 24.050 -30.015 28.750 260 HD3 PRO 34 HD3 PRO 34 24.713 -28.736 27.713 261 H LYS 35 H LYS 35 24.743 -32.825 23.992 262 HA LYS 35 HA LYS 35 24.181 -35.004 23.654 263 HB2 LYS 35 HB2 LYS 35 25.412 -34.980 25.976 264 HB3 LYS 35 HB3 LYS 35 23.817 -35.375 26.602 265 HG2 LYS 35 HG2 LYS 35 24.746 -37.456 26.314 266 HG3 LYS 35 HG3 LYS 35 23.861 -37.246 24.801 267 HD2 LYS 35 HD2 LYS 35 25.818 -36.786 23.591 268 HD3 LYS 35 HD3 LYS 35 26.751 -36.471 25.056 269 HE2 LYS 35 HE2 LYS 35 25.565 -39.171 24.499 270 HE3 LYS 35 HE3 LYS 35 27.127 -38.698 23.832 271 HZ1 LYS 35 HZ1 LYS 35 26.404 -38.816 26.710 272 HZ2 LYS 35 HZ2 LYS 35 27.883 -38.253 26.112 273 HZ3 LYS 35 HZ3 LYS 35 27.441 -39.871 25.889 274 H ASN 36 H ASN 36 22.075 -33.420 23.207 275 HA ASN 36 HA ASN 36 19.854 -35.133 23.898 276 HB2 ASN 36 HB2 ASN 36 20.156 -33.287 25.721 277 HB3 ASN 36 HB3 ASN 36 19.472 -32.218 24.500 278 HD21 ASN 36 HD21 ASN 36 17.395 -32.925 23.549 279 HD22 ASN 36 HD22 ASN 36 16.251 -33.693 24.591 280 H ARG 37 H ARG 37 18.759 -35.425 22.081 281 HA ARG 37 HA ARG 37 18.624 -33.205 20.147 282 HB2 ARG 37 HB2 ARG 37 18.727 -36.164 19.530 283 HB3 ARG 37 HB3 ARG 37 18.608 -34.867 18.348 284 HG2 ARG 37 HG2 ARG 37 20.910 -35.090 20.262 285 HG3 ARG 37 HG3 ARG 37 20.893 -35.897 18.693 286 HD2 ARG 37 HD2 ARG 37 20.671 -33.784 17.557 287 HD3 ARG 37 HD3 ARG 37 20.511 -32.934 19.094 288 HE ARG 37 HE ARG 37 22.961 -34.396 18.893 289 HH11 ARG 37 HH11 ARG 37 21.360 -31.428 18.026 290 HH12 ARG 37 HH12 ARG 37 22.830 -30.520 17.899 291 HH21 ARG 37 HH21 ARG 37 24.903 -33.210 18.729 292 HH22 ARG 37 HH22 ARG 37 24.845 -31.534 18.299 293 H LEU 38 H LEU 38 16.784 -33.824 18.449 294 HA LEU 38 HA LEU 38 14.364 -34.133 20.060 295 HB2 LEU 38 HB2 LEU 38 14.821 -32.189 18.441 296 HB3 LEU 38 HB3 LEU 38 14.457 -33.350 17.166 297 HG LEU 38 HG LEU 38 12.213 -33.683 18.231 298 HD11 LEU 38 HD11 LEU 38 12.694 -32.932 20.467 299 HD12 LEU 38 HD12 LEU 38 11.443 -31.906 19.766 300 HD13 LEU 38 HD13 LEU 38 13.102 -31.320 19.877 301 HD21 LEU 38 HD21 LEU 38 11.579 -31.141 17.638 302 HD22 LEU 38 HD22 LEU 38 11.921 -32.369 16.418 303 HD23 LEU 38 HD23 LEU 38 13.180 -31.232 16.903 304 H GLU 39 H GLU 39 15.646 -35.271 16.933 305 HA GLU 39 HA GLU 39 13.779 -37.527 17.039 306 HB2 GLU 39 HB2 GLU 39 15.583 -36.753 14.748 307 HB3 GLU 39 HB3 GLU 39 14.199 -37.835 14.703 308 HG2 GLU 39 HG2 GLU 39 12.808 -35.812 15.383 309 HG3 GLU 39 HG3 GLU 39 14.226 -34.851 14.968 Start of MODEL 12 1 H1 MET 1 H MET 1 1.824 -0.591 -4.357 2 HA MET 1 HA MET 1 2.240 1.815 -2.833 3 HB2 MET 1 HB2 MET 1 0.938 -0.831 -2.318 4 HB3 MET 1 HB3 MET 1 1.324 0.219 -0.961 5 HG2 MET 1 HG2 MET 1 -0.840 0.820 -1.426 6 HG3 MET 1 HG3 MET 1 0.072 2.026 -2.330 7 HE1 MET 1 HE1 MET 1 -2.055 1.982 -5.300 8 HE2 MET 1 HE2 MET 1 -2.686 2.171 -3.664 9 HE3 MET 1 HE3 MET 1 -1.107 2.836 -4.083 10 H ILE 2 H ILE 2 3.437 -1.528 -2.680 11 HA ILE 2 HA ILE 2 5.394 -0.759 -0.659 12 HB ILE 2 HB ILE 2 4.946 -3.480 -1.885 13 HG12 ILE 2 HG12 ILE 2 2.915 -2.672 -0.757 14 HG13 ILE 2 HG13 ILE 2 3.653 -4.002 0.130 15 HG21 ILE 2 HG21 ILE 2 6.656 -2.425 0.309 16 HG22 ILE 2 HG22 ILE 2 5.981 -4.045 0.468 17 HG23 ILE 2 HG23 ILE 2 7.009 -3.650 -0.909 18 HD11 ILE 2 HD11 ILE 2 4.722 -1.573 1.128 19 HD12 ILE 2 HD12 ILE 2 2.965 -1.428 1.062 20 HD13 ILE 2 HD13 ILE 2 3.707 -2.758 1.950 21 H SER 3 H SER 3 7.610 -0.875 -0.942 22 HA SER 3 HA SER 3 8.497 -0.658 -3.712 23 HB2 SER 3 HB2 SER 3 9.562 0.218 -1.069 24 HB3 SER 3 HB3 SER 3 10.727 -0.096 -2.356 25 HG SER 3 HG SER 3 9.156 2.035 -2.016 26 H ASP 4 H ASP 4 9.901 -2.029 -4.690 27 HA ASP 4 HA ASP 4 10.117 -4.675 -3.733 28 HB2 ASP 4 HB2 ASP 4 11.583 -3.252 -5.961 29 HB3 ASP 4 HB3 ASP 4 11.684 -4.985 -5.664 30 H GLU 5 H GLU 5 12.301 -1.922 -3.655 31 HA GLU 5 HA GLU 5 14.620 -3.300 -2.840 32 HB2 GLU 5 HB2 GLU 5 13.756 -0.435 -2.440 33 HB3 GLU 5 HB3 GLU 5 15.343 -1.039 -1.987 34 HG2 GLU 5 HG2 GLU 5 14.318 -1.365 -4.777 35 HG3 GLU 5 HG3 GLU 5 15.062 0.143 -4.250 36 H GLN 6 H GLN 6 12.129 -1.591 -0.964 37 HA GLN 6 HA GLN 6 13.252 -2.105 1.568 38 HB2 GLN 6 HB2 GLN 6 10.556 -1.280 0.581 39 HB3 GLN 6 HB3 GLN 6 10.725 -1.786 2.257 40 HG2 GLN 6 HG2 GLN 6 12.573 -0.088 2.462 41 HG3 GLN 6 HG3 GLN 6 12.081 0.510 0.878 42 HE21 GLN 6 HE21 GLN 6 11.304 0.311 4.233 43 HE22 GLN 6 HE22 GLN 6 9.960 1.395 4.206 44 H LEU 7 H LEU 7 10.988 -3.906 -0.438 45 HA LEU 7 HA LEU 7 10.217 -5.813 1.486 46 HB2 LEU 7 HB2 LEU 7 8.995 -5.468 -0.589 47 HB3 LEU 7 HB3 LEU 7 10.377 -6.050 -1.515 48 HG LEU 7 HG LEU 7 9.149 -7.873 0.495 49 HD11 LEU 7 HD11 LEU 7 7.886 -8.392 -1.957 50 HD12 LEU 7 HD12 LEU 7 7.669 -6.671 -1.643 51 HD13 LEU 7 HD13 LEU 7 7.144 -7.857 -0.449 52 HD21 LEU 7 HD21 LEU 7 9.647 -9.330 -1.699 53 HD22 LEU 7 HD22 LEU 7 10.862 -8.994 -0.465 54 HD23 LEU 7 HD23 LEU 7 10.813 -8.029 -1.941 55 H ASN 8 H ASN 8 12.665 -6.005 -1.099 56 HA ASN 8 HA ASN 8 13.647 -8.542 -0.322 57 HB2 ASN 8 HB2 ASN 8 13.941 -7.268 -2.564 58 HB3 ASN 8 HB3 ASN 8 15.315 -6.502 -1.771 59 HD21 ASN 8 HD21 ASN 8 13.926 -9.668 -2.505 60 HD22 ASN 8 HD22 ASN 8 15.438 -10.481 -2.699 61 H SER 9 H SER 9 14.545 -5.246 0.520 62 HA SER 9 HA SER 9 16.949 -5.884 1.873 63 HB2 SER 9 HB2 SER 9 15.103 -3.513 1.882 64 HB3 SER 9 HB3 SER 9 16.439 -3.605 3.030 65 HG SER 9 HG SER 9 17.728 -3.064 1.475 66 H LEU 10 H LEU 10 13.645 -5.289 3.049 67 HA LEU 10 HA LEU 10 14.246 -5.771 5.774 68 HB2 LEU 10 HB2 LEU 10 12.016 -5.457 6.180 69 HB3 LEU 10 HB3 LEU 10 12.202 -4.613 4.644 70 HG LEU 10 HG LEU 10 11.461 -6.973 3.684 71 HD11 LEU 10 HD11 LEU 10 11.150 -8.320 5.502 72 HD12 LEU 10 HD12 LEU 10 9.529 -7.645 5.338 73 HD13 LEU 10 HD13 LEU 10 10.639 -6.991 6.542 74 HD21 LEU 10 HD21 LEU 10 9.382 -6.041 3.289 75 HD22 LEU 10 HD22 LEU 10 10.374 -4.619 3.612 76 HD23 LEU 10 HD23 LEU 10 9.315 -5.260 4.869 77 H ALA 11 H ALA 11 13.368 -7.836 3.102 78 HA ALA 11 HA ALA 11 12.638 -10.120 4.616 79 HB1 ALA 11 HB1 ALA 11 13.559 -9.785 1.771 80 HB2 ALA 11 HB2 ALA 11 13.086 -11.341 2.455 81 HB3 ALA 11 HB3 ALA 11 11.915 -10.026 2.364 82 H ILE 12 H ILE 12 15.644 -9.344 2.855 83 HA ILE 12 HA ILE 12 17.095 -11.580 3.724 84 HB ILE 12 HB ILE 12 17.835 -10.227 1.838 85 HG12 ILE 12 HG12 ILE 12 20.246 -10.033 2.457 86 HG13 ILE 12 HG13 ILE 12 19.799 -10.290 4.140 87 HG21 ILE 12 HG21 ILE 12 17.144 -8.044 2.866 88 HG22 ILE 12 HG22 ILE 12 18.626 -8.103 3.818 89 HG23 ILE 12 HG23 ILE 12 18.711 -8.026 2.058 90 HD11 ILE 12 HD11 ILE 12 19.379 -12.506 3.831 91 HD12 ILE 12 HD12 ILE 12 18.943 -12.302 2.134 92 HD13 ILE 12 HD13 ILE 12 20.637 -12.259 2.621 93 H THR 13 H THR 13 16.801 -8.325 5.081 94 HA THR 13 HA THR 13 18.722 -8.581 7.109 95 HB THR 13 HB THR 13 17.438 -6.763 8.271 96 HG1 THR 13 HG1 THR 13 15.397 -6.653 7.730 97 HG21 THR 13 HG21 THR 13 19.075 -5.922 6.864 98 HG22 THR 13 HG22 THR 13 17.621 -5.158 6.223 99 HG23 THR 13 HG23 THR 13 18.306 -6.567 5.414 100 H PHE 14 H PHE 14 15.189 -9.037 7.253 101 HA PHE 14 HA PHE 14 15.091 -9.853 9.936 102 HB2 PHE 14 HB2 PHE 14 13.268 -9.991 7.600 103 HB3 PHE 14 HB3 PHE 14 12.935 -11.104 8.922 104 HD1 PHE 14 HD1 PHE 14 13.360 -9.739 11.324 105 HD2 PHE 14 HD2 PHE 14 11.909 -8.156 7.649 106 HE1 PHE 14 HE1 PHE 14 12.223 -7.937 12.554 107 HE2 PHE 14 HE2 PHE 14 10.770 -6.351 8.873 108 HZ PHE 14 HZ PHE 14 10.925 -6.240 11.328 109 H GLY 15 H GLY 15 15.736 -11.612 6.976 110 HA2 GLY 15 HA2 GLY 15 15.413 -14.228 8.001 111 HA3 GLY 15 HA3 GLY 15 16.356 -13.789 6.584 112 H ILE 16 H ILE 16 18.390 -12.339 7.463 113 HA ILE 16 HA ILE 16 20.116 -14.227 8.636 114 HB ILE 16 HB ILE 16 21.747 -12.366 8.796 115 HG12 ILE 16 HG12 ILE 16 19.403 -10.718 7.825 116 HG13 ILE 16 HG13 ILE 16 20.250 -10.541 9.357 117 HG21 ILE 16 HG21 ILE 16 20.919 -13.661 6.608 118 HG22 ILE 16 HG22 ILE 16 20.559 -12.008 6.113 119 HG23 ILE 16 HG23 ILE 16 22.201 -12.450 6.578 120 HD11 ILE 16 HD11 ILE 16 20.909 -9.505 6.720 121 HD12 ILE 16 HD12 ILE 16 21.405 -8.949 8.319 122 HD13 ILE 16 HD13 ILE 16 22.270 -10.272 7.537 123 H VAL 17 H VAL 17 18.357 -11.480 9.972 124 HA VAL 17 HA VAL 17 19.586 -11.505 12.524 125 HB VAL 17 HB VAL 17 16.884 -10.463 11.668 126 HG11 VAL 17 HG11 VAL 17 17.522 -9.040 13.879 127 HG12 VAL 17 HG12 VAL 17 16.472 -10.458 13.882 128 HG13 VAL 17 HG13 VAL 17 18.177 -10.621 14.305 129 HG21 VAL 17 HG21 VAL 17 17.930 -8.628 10.956 130 HG22 VAL 17 HG22 VAL 17 18.905 -8.526 12.422 131 HG23 VAL 17 HG23 VAL 17 19.432 -9.543 11.081 132 H MET 18 H MET 18 16.565 -12.927 11.306 133 HA MET 18 HA MET 18 15.775 -14.069 13.769 134 HB2 MET 18 HB2 MET 18 15.002 -14.470 10.908 135 HB3 MET 18 HB3 MET 18 14.452 -15.627 12.112 136 HG2 MET 18 HG2 MET 18 13.995 -12.663 12.314 137 HG3 MET 18 HG3 MET 18 12.849 -13.789 11.590 138 HE1 MET 18 HE1 MET 18 11.082 -14.178 12.490 139 HE2 MET 18 HE2 MET 18 10.979 -15.355 13.799 140 HE3 MET 18 HE3 MET 18 10.606 -13.659 14.107 141 H MET 19 H MET 19 17.579 -15.347 11.000 142 HA MET 19 HA MET 19 17.793 -17.997 11.928 143 HB2 MET 19 HB2 MET 19 18.243 -17.408 9.608 144 HB3 MET 19 HB3 MET 19 19.617 -16.426 10.098 145 HG2 MET 19 HG2 MET 19 20.404 -18.513 9.224 146 HG3 MET 19 HG3 MET 19 20.723 -18.451 10.956 147 HE1 MET 19 HE1 MET 19 17.893 -21.204 8.686 148 HE2 MET 19 HE2 MET 19 17.288 -19.566 8.929 149 HE3 MET 19 HE3 MET 19 18.806 -19.827 8.069 150 H THR 20 H THR 20 19.856 -15.160 12.372 151 HA THR 20 HA THR 20 21.962 -16.484 13.709 152 HB THR 20 HB THR 20 21.103 -13.589 13.883 153 HG1 THR 20 HG1 THR 20 22.283 -13.318 12.120 154 HG21 THR 20 HG21 THR 20 23.514 -13.257 14.571 155 HG22 THR 20 HG22 THR 20 23.594 -15.001 14.825 156 HG23 THR 20 HG23 THR 20 22.476 -14.022 15.774 157 H LEU 21 H LEU 21 19.286 -14.510 15.002 158 HA LEU 21 HA LEU 21 19.822 -14.850 17.701 159 HB2 LEU 21 HB2 LEU 21 17.166 -14.556 16.309 160 HB3 LEU 21 HB3 LEU 21 17.402 -14.404 18.049 161 HG LEU 21 HG LEU 21 18.795 -12.623 16.062 162 HD11 LEU 21 HD11 LEU 21 17.059 -11.151 16.018 163 HD12 LEU 21 HD12 LEU 21 16.422 -11.679 17.575 164 HD13 LEU 21 HD13 LEU 21 16.150 -12.659 16.134 165 HD21 LEU 21 HD21 LEU 21 18.355 -11.293 18.447 166 HD22 LEU 21 HD22 LEU 21 19.874 -12.013 17.912 167 HD23 LEU 21 HD23 LEU 21 18.778 -12.931 18.946 168 H ILE 22 H ILE 22 17.625 -16.768 15.655 169 HA ILE 22 HA ILE 22 16.908 -18.631 17.631 170 HB ILE 22 HB ILE 22 17.010 -19.023 14.637 171 HG12 ILE 22 HG12 ILE 22 14.572 -18.404 16.289 172 HG13 ILE 22 HG13 ILE 22 15.591 -17.118 15.651 173 HG21 ILE 22 HG21 ILE 22 15.040 -20.639 15.443 174 HG22 ILE 22 HG22 ILE 22 16.714 -21.171 15.293 175 HG23 ILE 22 HG23 ILE 22 16.072 -20.717 16.871 176 HD11 ILE 22 HD11 ILE 22 13.823 -19.029 14.213 177 HD12 ILE 22 HD12 ILE 22 13.997 -17.284 14.021 178 HD13 ILE 22 HD13 ILE 22 15.234 -18.368 13.388 179 H ASP 23 H ASP 23 19.600 -18.523 15.372 180 HA ASP 23 HA ASP 23 20.518 -21.158 15.710 181 HB2 ASP 23 HB2 ASP 23 21.387 -19.920 13.879 182 HB3 ASP 23 HB3 ASP 23 21.917 -18.605 14.924 183 H ILE 24 H ILE 24 21.552 -18.146 17.307 184 HA ILE 24 HA ILE 24 23.414 -19.333 19.041 185 HB ILE 24 HB ILE 24 21.812 -16.808 19.468 186 HG12 ILE 24 HG12 ILE 24 23.133 -16.822 17.376 187 HG13 ILE 24 HG13 ILE 24 23.742 -15.648 18.538 188 HG21 ILE 24 HG21 ILE 24 23.822 -16.210 20.898 189 HG22 ILE 24 HG22 ILE 24 22.711 -17.408 21.559 190 HG23 ILE 24 HG23 ILE 24 24.239 -17.923 20.844 191 HD11 ILE 24 HD11 ILE 24 25.083 -18.138 18.921 192 HD12 ILE 24 HD12 ILE 24 25.161 -17.674 17.220 193 HD13 ILE 24 HD13 ILE 24 25.746 -16.569 18.464 194 H TYR 25 H TYR 25 20.028 -18.385 19.612 195 HA TYR 25 HA TYR 25 19.858 -19.256 22.261 196 HB2 TYR 25 HB2 TYR 25 18.184 -17.836 20.991 197 HB3 TYR 25 HB3 TYR 25 17.585 -19.327 20.275 198 HD1 TYR 25 HD1 TYR 25 18.632 -18.500 23.765 199 HD2 TYR 25 HD2 TYR 25 15.501 -19.767 21.177 200 HE1 TYR 25 HE1 TYR 25 17.169 -18.840 25.712 201 HE2 TYR 25 HE2 TYR 25 14.029 -20.109 23.118 202 HH TYR 25 HH TYR 25 13.951 -19.074 25.575 203 H HIS 26 H HIS 26 19.466 -20.994 19.231 204 HA HIS 26 HA HIS 26 18.403 -23.376 20.324 205 HB2 HIS 26 HB2 HIS 26 19.636 -22.576 17.738 206 HB3 HIS 26 HB3 HIS 26 19.581 -24.297 18.106 207 HD1 HIS 26 HD1 HIS 26 17.924 -24.353 15.991 208 HD2 HIS 26 HD2 HIS 26 16.490 -22.459 19.399 209 HE1 HIS 26 HE1 HIS 26 15.434 -24.198 15.676 210 H ALA 27 H ALA 27 21.719 -22.486 19.383 211 HA ALA 27 HA ALA 27 22.937 -24.890 20.171 212 HB1 ALA 27 HB1 ALA 27 24.897 -22.996 20.514 213 HB2 ALA 27 HB2 ALA 27 24.503 -23.811 19.000 214 HB3 ALA 27 HB3 ALA 27 23.807 -22.231 19.358 215 H VAL 28 H VAL 28 22.550 -21.813 21.915 216 HA VAL 28 HA VAL 28 23.880 -22.578 24.264 217 HB VAL 28 HB VAL 28 21.618 -20.598 23.958 218 HG11 VAL 28 HG11 VAL 28 23.133 -19.680 26.003 219 HG12 VAL 28 HG12 VAL 28 21.682 -20.665 26.208 220 HG13 VAL 28 HG13 VAL 28 23.276 -21.421 26.243 221 HG21 VAL 28 HG21 VAL 28 23.069 -19.139 23.095 222 HG22 VAL 28 HG22 VAL 28 24.306 -19.543 24.285 223 HG23 VAL 28 HG23 VAL 28 24.136 -20.517 22.826 224 H ASP 29 H ASP 29 20.473 -22.819 23.331 225 HA ASP 29 HA ASP 29 19.522 -23.787 25.805 226 HB2 ASP 29 HB2 ASP 29 18.097 -22.848 23.973 227 HB3 ASP 29 HB3 ASP 29 18.364 -24.333 23.065 228 H SER 30 H SER 30 20.776 -25.407 22.932 229 HA SER 30 HA SER 30 20.190 -28.045 23.849 230 HB2 SER 30 HB2 SER 30 21.806 -26.882 21.611 231 HB3 SER 30 HB3 SER 30 22.008 -28.585 22.023 232 HG SER 30 HG SER 30 20.291 -27.850 20.413 233 H THR 31 H THR 31 22.973 -25.907 24.044 234 HA THR 31 HA THR 31 24.747 -27.884 25.107 235 HB THR 31 HB THR 31 24.995 -24.873 25.246 236 HG1 THR 31 HG1 THR 31 25.267 -25.081 23.158 237 HG21 THR 31 HG21 THR 31 26.678 -25.480 26.636 238 HG22 THR 31 HG22 THR 31 27.517 -25.821 25.122 239 HG23 THR 31 HG23 THR 31 26.739 -27.129 26.014 240 H MET 32 H MET 32 22.601 -25.451 26.462 241 HA MET 32 HA MET 32 23.546 -25.785 29.151 242 HB2 MET 32 HB2 MET 32 22.476 -23.692 28.261 243 HB3 MET 32 HB3 MET 32 20.943 -24.553 28.238 244 HG2 MET 32 HG2 MET 32 21.414 -24.996 30.733 245 HG3 MET 32 HG3 MET 32 22.582 -23.686 30.581 246 HE1 MET 32 HE1 MET 32 19.154 -24.951 30.586 247 HE2 MET 32 HE2 MET 32 19.031 -23.977 32.050 248 HE3 MET 32 HE3 MET 32 18.071 -23.560 30.630 249 H SER 33 H SER 33 20.845 -27.004 27.238 250 HA SER 33 HA SER 33 20.368 -29.014 29.325 251 HB2 SER 33 HB2 SER 33 18.643 -27.207 29.473 252 HB3 SER 33 HB3 SER 33 18.158 -27.593 27.822 253 HG SER 33 HG SER 33 17.756 -29.016 30.180 254 HA PRO 34 HA PRO 34 20.896 -30.837 25.062 255 HB2 PRO 34 HB2 PRO 34 22.778 -32.650 25.798 256 HB3 PRO 34 HB3 PRO 34 23.176 -31.003 25.295 257 HG2 PRO 34 HG2 PRO 34 22.943 -32.136 28.056 258 HG3 PRO 34 HG3 PRO 34 24.168 -31.036 27.398 259 HD2 PRO 34 HD2 PRO 34 22.103 -30.173 28.922 260 HD3 PRO 34 HD3 PRO 34 22.811 -29.187 27.627 261 H LYS 35 H LYS 35 19.694 -32.524 24.413 262 HA LYS 35 HA LYS 35 18.504 -34.233 26.462 263 HB2 LYS 35 HB2 LYS 35 17.801 -33.621 23.601 264 HB3 LYS 35 HB3 LYS 35 17.065 -34.969 24.456 265 HG2 LYS 35 HG2 LYS 35 16.500 -33.168 26.248 266 HG3 LYS 35 HG3 LYS 35 16.756 -32.039 24.916 267 HD2 LYS 35 HD2 LYS 35 14.496 -32.458 24.733 268 HD3 LYS 35 HD3 LYS 35 15.163 -33.655 23.621 269 HE2 LYS 35 HE2 LYS 35 14.721 -35.413 25.036 270 HE3 LYS 35 HE3 LYS 35 14.766 -34.401 26.479 271 HZ1 LYS 35 HZ1 LYS 35 12.562 -34.435 26.388 272 HZ2 LYS 35 HZ2 LYS 35 12.543 -35.109 24.837 273 HZ3 LYS 35 HZ3 LYS 35 12.663 -33.433 25.028 274 H ASN 36 H ASN 36 19.575 -34.808 23.108 275 HA ASN 36 HA ASN 36 21.104 -37.126 24.025 276 HB2 ASN 36 HB2 ASN 36 18.919 -37.212 21.939 277 HB3 ASN 36 HB3 ASN 36 20.130 -38.477 22.126 278 HD21 ASN 36 HD21 ASN 36 17.442 -36.841 23.649 279 HD22 ASN 36 HD22 ASN 36 17.076 -38.092 24.784 280 H ARG 37 H ARG 37 23.091 -36.794 23.295 281 HA ARG 37 HA ARG 37 23.561 -35.198 20.924 282 HB2 ARG 37 HB2 ARG 37 25.405 -36.499 22.928 283 HB3 ARG 37 HB3 ARG 37 25.988 -35.634 21.513 284 HG2 ARG 37 HG2 ARG 37 25.144 -33.579 22.293 285 HG3 ARG 37 HG3 ARG 37 24.163 -34.367 23.531 286 HD2 ARG 37 HD2 ARG 37 25.939 -33.596 24.777 287 HD3 ARG 37 HD3 ARG 37 26.464 -35.236 24.397 288 HE ARG 37 HE ARG 37 27.366 -33.353 22.456 289 HH11 ARG 37 HH11 ARG 37 28.001 -34.617 25.637 290 HH12 ARG 37 HH12 ARG 37 29.691 -34.238 25.593 291 HH21 ARG 37 HH21 ARG 37 29.589 -32.849 22.385 292 HH22 ARG 37 HH22 ARG 37 30.593 -33.231 23.742 293 H LEU 38 H LEU 38 22.435 -36.835 19.556 294 HA LEU 38 HA LEU 38 24.387 -38.804 18.587 295 HB2 LEU 38 HB2 LEU 38 22.352 -40.259 18.047 296 HB3 LEU 38 HB3 LEU 38 22.922 -40.206 19.714 297 HG LEU 38 HG LEU 38 21.104 -38.510 20.156 298 HD11 LEU 38 HD11 LEU 38 20.633 -37.772 17.929 299 HD12 LEU 38 HD12 LEU 38 19.196 -38.576 18.561 300 HD13 LEU 38 HD13 LEU 38 20.242 -39.413 17.414 301 HD21 LEU 38 HD21 LEU 38 21.074 -41.083 20.538 302 HD22 LEU 38 HD22 LEU 38 19.903 -41.081 19.219 303 HD23 LEU 38 HD23 LEU 38 19.579 -40.158 20.688 304 H GLU 39 H GLU 39 23.892 -36.189 17.598 305 HA GLU 39 HA GLU 39 22.254 -36.513 15.219 306 HB2 GLU 39 HB2 GLU 39 22.580 -34.181 14.846 307 HB3 GLU 39 HB3 GLU 39 22.288 -34.390 16.567 308 HG2 GLU 39 HG2 GLU 39 24.878 -34.450 16.733 309 HG3 GLU 39 HG3 GLU 39 24.814 -33.675 15.151 Start of MODEL 13 1 H1 MET 1 H MET 1 3.115 -3.002 -3.917 2 HA MET 1 HA MET 1 1.462 -1.193 -2.611 3 HB2 MET 1 HB2 MET 1 0.290 -3.499 -2.177 4 HB3 MET 1 HB3 MET 1 1.553 -3.696 -0.970 5 HG2 MET 1 HG2 MET 1 -0.224 -2.802 0.221 6 HG3 MET 1 HG3 MET 1 0.815 -1.414 -0.092 7 HE1 MET 1 HE1 MET 1 -3.526 -1.727 -0.954 8 HE2 MET 1 HE2 MET 1 -2.530 -3.140 -0.605 9 HE3 MET 1 HE3 MET 1 -2.595 -1.802 0.543 10 H ILE 2 H ILE 2 3.901 -3.706 -2.113 11 HA ILE 2 HA ILE 2 5.332 -1.918 -0.274 12 HB ILE 2 HB ILE 2 5.846 -4.845 -0.807 13 HG12 ILE 2 HG12 ILE 2 3.658 -4.526 0.237 14 HG13 ILE 2 HG13 ILE 2 4.790 -5.230 1.387 15 HG21 ILE 2 HG21 ILE 2 7.841 -3.898 -0.014 16 HG22 ILE 2 HG22 ILE 2 6.993 -2.863 1.134 17 HG23 ILE 2 HG23 ILE 2 7.078 -4.602 1.412 18 HD11 ILE 2 HD11 ILE 2 3.261 -2.827 1.590 19 HD12 ILE 2 HD12 ILE 2 4.260 -3.624 2.806 20 HD13 ILE 2 HD13 ILE 2 4.981 -2.452 1.703 21 H SER 3 H SER 3 7.459 -1.332 -0.624 22 HA SER 3 HA SER 3 8.276 -1.195 -3.365 23 HB2 SER 3 HB2 SER 3 8.663 0.521 -1.430 24 HB3 SER 3 HB3 SER 3 10.078 -0.470 -1.076 25 HG SER 3 HG SER 3 9.481 0.956 -3.445 26 H ASP 4 H ASP 4 9.877 -2.279 -4.407 27 HA ASP 4 HA ASP 4 10.553 -4.863 -3.607 28 HB2 ASP 4 HB2 ASP 4 11.959 -3.058 -5.587 29 HB3 ASP 4 HB3 ASP 4 12.220 -4.794 -5.444 30 H GLU 5 H GLU 5 12.254 -1.813 -3.177 31 HA GLU 5 HA GLU 5 14.699 -2.895 -2.265 32 HB2 GLU 5 HB2 GLU 5 13.427 -0.207 -1.721 33 HB3 GLU 5 HB3 GLU 5 15.086 -0.625 -1.320 34 HG2 GLU 5 HG2 GLU 5 13.967 -0.702 -4.109 35 HG3 GLU 5 HG3 GLU 5 14.813 0.682 -3.421 36 H GLN 6 H GLN 6 11.967 -1.494 -0.450 37 HA GLN 6 HA GLN 6 12.965 -2.091 2.104 38 HB2 GLN 6 HB2 GLN 6 10.974 -0.574 1.347 39 HB3 GLN 6 HB3 GLN 6 10.023 -2.040 1.541 40 HG2 GLN 6 HG2 GLN 6 10.926 -2.192 3.879 41 HG3 GLN 6 HG3 GLN 6 11.600 -0.581 3.639 42 HE21 GLN 6 HE21 GLN 6 10.164 1.173 3.317 43 HE22 GLN 6 HE22 GLN 6 8.533 1.098 3.880 44 H LEU 7 H LEU 7 10.878 -3.924 -0.080 45 HA LEU 7 HA LEU 7 10.268 -6.018 1.707 46 HB2 LEU 7 HB2 LEU 7 8.962 -5.663 -0.284 47 HB3 LEU 7 HB3 LEU 7 10.371 -5.951 -1.303 48 HG LEU 7 HG LEU 7 10.320 -8.313 -0.143 49 HD11 LEU 7 HD11 LEU 7 7.733 -8.836 -0.040 50 HD12 LEU 7 HD12 LEU 7 7.655 -7.142 0.443 51 HD13 LEU 7 HD13 LEU 7 8.624 -8.281 1.377 52 HD21 LEU 7 HD21 LEU 7 8.152 -8.251 -2.066 53 HD22 LEU 7 HD22 LEU 7 9.749 -8.989 -2.187 54 HD23 LEU 7 HD23 LEU 7 9.532 -7.285 -2.587 55 H ASN 8 H ASN 8 12.715 -5.791 -0.871 56 HA ASN 8 HA ASN 8 13.874 -8.305 -0.473 57 HB2 ASN 8 HB2 ASN 8 14.280 -6.829 -2.442 58 HB3 ASN 8 HB3 ASN 8 15.272 -5.794 -1.419 59 HD21 ASN 8 HD21 ASN 8 17.338 -6.106 -1.754 60 HD22 ASN 8 HD22 ASN 8 18.106 -7.619 -2.081 61 H SER 9 H SER 9 14.834 -5.135 0.831 62 HA SER 9 HA SER 9 17.018 -6.022 2.337 63 HB2 SER 9 HB2 SER 9 16.812 -3.684 1.997 64 HB3 SER 9 HB3 SER 9 15.174 -3.655 2.648 65 HG SER 9 HG SER 9 16.060 -3.252 4.498 66 H LEU 10 H LEU 10 13.591 -5.769 3.161 67 HA LEU 10 HA LEU 10 13.856 -6.436 5.892 68 HB2 LEU 10 HB2 LEU 10 11.614 -6.429 3.924 69 HB3 LEU 10 HB3 LEU 10 11.383 -7.207 5.489 70 HG LEU 10 HG LEU 10 12.279 -4.347 5.232 71 HD11 LEU 10 HD11 LEU 10 9.941 -3.708 5.592 72 HD12 LEU 10 HD12 LEU 10 9.460 -5.397 5.435 73 HD13 LEU 10 HD13 LEU 10 10.164 -4.549 4.058 74 HD21 LEU 10 HD21 LEU 10 10.698 -4.891 7.516 75 HD22 LEU 10 HD22 LEU 10 12.409 -4.470 7.442 76 HD23 LEU 10 HD23 LEU 10 11.914 -6.163 7.393 77 H ALA 11 H ALA 11 13.457 -8.368 2.980 78 HA ALA 11 HA ALA 11 12.952 -10.839 4.266 79 HB1 ALA 11 HB1 ALA 11 13.411 -9.901 1.566 80 HB2 ALA 11 HB2 ALA 11 14.189 -11.457 1.863 81 HB3 ALA 11 HB3 ALA 11 12.457 -11.270 2.139 82 H ILE 12 H ILE 12 15.938 -9.537 2.810 83 HA ILE 12 HA ILE 12 17.620 -11.637 3.577 84 HB ILE 12 HB ILE 12 18.334 -10.027 1.920 85 HG12 ILE 12 HG12 ILE 12 20.607 -9.542 2.768 86 HG13 ILE 12 HG13 ILE 12 20.065 -9.917 4.400 87 HG21 ILE 12 HG21 ILE 12 18.841 -7.739 2.419 88 HG22 ILE 12 HG22 ILE 12 17.196 -8.073 2.960 89 HG23 ILE 12 HG23 ILE 12 18.510 -7.991 4.133 90 HD11 ILE 12 HD11 ILE 12 19.863 -12.185 3.938 91 HD12 ILE 12 HD12 ILE 12 19.841 -11.923 2.193 92 HD13 ILE 12 HD13 ILE 12 21.339 -11.708 3.099 93 H THR 13 H THR 13 16.745 -8.648 5.248 94 HA THR 13 HA THR 13 18.541 -8.871 7.396 95 HB THR 13 HB THR 13 16.847 -7.434 8.635 96 HG1 THR 13 HG1 THR 13 14.958 -7.089 7.730 97 HG21 THR 13 HG21 THR 13 18.165 -6.749 6.054 98 HG22 THR 13 HG22 THR 13 18.484 -6.144 7.679 99 HG23 THR 13 HG23 THR 13 17.083 -5.562 6.780 100 H PHE 14 H PHE 14 15.127 -9.858 7.149 101 HA PHE 14 HA PHE 14 14.954 -10.986 9.721 102 HB2 PHE 14 HB2 PHE 14 13.016 -10.379 8.243 103 HB3 PHE 14 HB3 PHE 14 13.367 -11.814 7.285 104 HD1 PHE 14 HD1 PHE 14 11.858 -13.490 7.663 105 HD2 PHE 14 HD2 PHE 14 13.129 -11.092 10.942 106 HE1 PHE 14 HE1 PHE 14 10.476 -14.842 9.183 107 HE2 PHE 14 HE2 PHE 14 11.748 -12.441 12.468 108 HZ PHE 14 HZ PHE 14 10.418 -14.318 11.589 109 H GLY 15 H GLY 15 16.049 -12.270 6.649 110 HA2 GLY 15 HA2 GLY 15 16.051 -15.009 7.357 111 HA3 GLY 15 HA3 GLY 15 17.006 -14.278 6.076 112 H ILE 16 H ILE 16 18.774 -12.708 7.210 113 HA ILE 16 HA ILE 16 20.669 -14.451 8.326 114 HB ILE 16 HB ILE 16 21.359 -12.459 7.127 115 HG12 ILE 16 HG12 ILE 16 22.221 -12.151 10.004 116 HG13 ILE 16 HG13 ILE 16 22.788 -13.457 8.970 117 HG21 ILE 16 HG21 ILE 16 20.382 -10.813 9.447 118 HG22 ILE 16 HG22 ILE 16 21.009 -10.246 7.900 119 HG23 ILE 16 HG23 ILE 16 19.444 -11.057 7.974 120 HD11 ILE 16 HD11 ILE 16 23.535 -10.623 9.020 121 HD12 ILE 16 HD12 ILE 16 24.471 -12.043 8.552 122 HD13 ILE 16 HD13 ILE 16 23.332 -11.322 7.414 123 H VAL 17 H VAL 17 18.601 -11.992 9.826 124 HA VAL 17 HA VAL 17 19.622 -12.217 12.436 125 HB VAL 17 HB VAL 17 16.874 -11.387 11.499 126 HG11 VAL 17 HG11 VAL 17 17.286 -10.173 13.920 127 HG12 VAL 17 HG12 VAL 17 16.287 -11.602 13.648 128 HG13 VAL 17 HG13 VAL 17 17.959 -11.782 14.181 129 HG21 VAL 17 HG21 VAL 17 19.193 -10.124 11.016 130 HG22 VAL 17 HG22 VAL 17 17.667 -9.278 11.271 131 HG23 VAL 17 HG23 VAL 17 18.813 -9.449 12.600 132 H MET 18 H MET 18 17.073 -13.971 10.742 133 HA MET 18 HA MET 18 16.141 -15.397 13.018 134 HB2 MET 18 HB2 MET 18 14.814 -15.059 10.942 135 HB3 MET 18 HB3 MET 18 15.904 -16.152 10.101 136 HG2 MET 18 HG2 MET 18 15.144 -18.010 11.263 137 HG3 MET 18 HG3 MET 18 14.456 -17.036 12.560 138 HE1 MET 18 HE1 MET 18 11.077 -17.914 11.832 139 HE2 MET 18 HE2 MET 18 12.133 -19.246 11.362 140 HE3 MET 18 HE3 MET 18 12.555 -18.231 12.741 141 H MET 19 H MET 19 18.562 -16.033 10.542 142 HA MET 19 HA MET 19 19.037 -18.739 11.228 143 HB2 MET 19 HB2 MET 19 19.733 -17.393 9.110 144 HB3 MET 19 HB3 MET 19 21.150 -16.961 10.056 145 HG2 MET 19 HG2 MET 19 22.015 -19.057 9.985 146 HG3 MET 19 HG3 MET 19 20.432 -19.828 9.910 147 HE1 MET 19 HE1 MET 19 22.472 -21.063 6.960 148 HE2 MET 19 HE2 MET 19 23.507 -19.687 7.341 149 HE3 MET 19 HE3 MET 19 22.851 -20.683 8.641 150 H THR 20 H THR 20 20.500 -15.691 12.257 151 HA THR 20 HA THR 20 22.506 -16.932 13.877 152 HB THR 20 HB THR 20 22.850 -14.683 12.974 153 HG1 THR 20 HG1 THR 20 24.050 -14.380 14.681 154 HG21 THR 20 HG21 THR 20 20.630 -13.854 14.848 155 HG22 THR 20 HG22 THR 20 20.536 -13.883 13.087 156 HG23 THR 20 HG23 THR 20 21.637 -12.766 13.893 157 H LEU 21 H LEU 21 19.272 -15.675 14.422 158 HA LEU 21 HA LEU 21 19.355 -15.710 17.251 159 HB2 LEU 21 HB2 LEU 21 17.138 -15.724 15.234 160 HB3 LEU 21 HB3 LEU 21 16.801 -15.856 16.959 161 HG LEU 21 HG LEU 21 18.372 -13.564 15.812 162 HD11 LEU 21 HD11 LEU 21 16.190 -13.678 14.681 163 HD12 LEU 21 HD12 LEU 21 16.329 -12.273 15.737 164 HD13 LEU 21 HD13 LEU 21 15.392 -13.674 16.254 165 HD21 LEU 21 HD21 LEU 21 17.894 -14.386 18.400 166 HD22 LEU 21 HD22 LEU 21 16.675 -13.138 18.136 167 HD23 LEU 21 HD23 LEU 21 18.384 -12.768 17.896 168 H ILE 22 H ILE 22 18.138 -18.047 14.867 169 HA ILE 22 HA ILE 22 17.348 -19.969 16.815 170 HB ILE 22 HB ILE 22 17.899 -20.315 13.866 171 HG12 ILE 22 HG12 ILE 22 16.071 -18.733 14.417 172 HG13 ILE 22 HG13 ILE 22 15.486 -20.179 13.601 173 HG21 ILE 22 HG21 ILE 22 16.769 -22.170 15.933 174 HG22 ILE 22 HG22 ILE 22 16.371 -22.341 14.224 175 HG23 ILE 22 HG23 ILE 22 18.048 -22.469 14.756 176 HD11 ILE 22 HD11 ILE 22 15.331 -19.612 16.551 177 HD12 ILE 22 HD12 ILE 22 13.999 -19.562 15.396 178 HD13 ILE 22 HD13 ILE 22 14.788 -21.095 15.766 179 H ASP 23 H ASP 23 20.214 -19.559 14.779 180 HA ASP 23 HA ASP 23 21.497 -21.965 15.402 181 HB2 ASP 23 HB2 ASP 23 22.255 -20.541 13.578 182 HB3 ASP 23 HB3 ASP 23 22.693 -19.271 14.718 183 H ILE 24 H ILE 24 21.884 -18.755 16.897 184 HA ILE 24 HA ILE 24 23.682 -19.616 18.902 185 HB ILE 24 HB ILE 24 21.844 -17.219 18.895 186 HG12 ILE 24 HG12 ILE 24 24.798 -17.238 18.314 187 HG13 ILE 24 HG13 ILE 24 23.615 -17.512 17.040 188 HG21 ILE 24 HG21 ILE 24 23.785 -16.405 20.464 189 HG22 ILE 24 HG22 ILE 24 22.438 -17.345 21.104 190 HG23 ILE 24 HG23 ILE 24 23.978 -18.133 20.759 191 HD11 ILE 24 HD11 ILE 24 22.579 -15.323 17.662 192 HD12 ILE 24 HD12 ILE 24 23.959 -15.052 18.727 193 HD13 ILE 24 HD13 ILE 24 24.205 -15.221 16.989 194 H TYR 25 H TYR 25 20.189 -18.925 19.019 195 HA TYR 25 HA TYR 25 19.757 -19.559 21.691 196 HB2 TYR 25 HB2 TYR 25 18.098 -18.470 20.189 197 HB3 TYR 25 HB3 TYR 25 17.837 -20.021 19.399 198 HD1 TYR 25 HD1 TYR 25 17.313 -18.090 22.479 199 HD2 TYR 25 HD2 TYR 25 16.550 -21.759 20.464 200 HE1 TYR 25 HE1 TYR 25 15.598 -18.646 24.153 201 HE2 TYR 25 HE2 TYR 25 14.832 -22.324 22.131 202 HH TYR 25 HH TYR 25 13.814 -21.714 24.006 203 H HIS 26 H HIS 26 19.959 -21.642 18.867 204 HA HIS 26 HA HIS 26 19.049 -24.006 20.159 205 HB2 HIS 26 HB2 HIS 26 18.941 -23.896 17.765 206 HB3 HIS 26 HB3 HIS 26 20.667 -23.569 17.646 207 HD1 HIS 26 HD1 HIS 26 19.496 -26.271 19.931 208 HD2 HIS 26 HD2 HIS 26 21.043 -25.884 16.095 209 HE1 HIS 26 HE1 HIS 26 20.126 -28.600 19.222 210 H ALA 27 H ALA 27 22.307 -22.873 19.263 211 HA ALA 27 HA ALA 27 23.773 -24.971 20.333 212 HB1 ALA 27 HB1 ALA 27 24.335 -22.485 19.183 213 HB2 ALA 27 HB2 ALA 27 25.151 -22.482 20.747 214 HB3 ALA 27 HB3 ALA 27 25.480 -23.766 19.584 215 H VAL 28 H VAL 28 22.818 -21.921 21.903 216 HA VAL 28 HA VAL 28 23.992 -22.484 24.402 217 HB VAL 28 HB VAL 28 21.578 -20.741 23.895 218 HG11 VAL 28 HG11 VAL 28 23.525 -19.967 25.935 219 HG12 VAL 28 HG12 VAL 28 21.762 -20.006 26.003 220 HG13 VAL 28 HG13 VAL 28 22.689 -21.481 26.280 221 HG21 VAL 28 HG21 VAL 28 23.944 -19.212 24.129 222 HG22 VAL 28 HG22 VAL 28 24.251 -20.473 22.935 223 HG23 VAL 28 HG23 VAL 28 22.885 -19.376 22.728 224 H ASP 29 H ASP 29 20.640 -22.852 23.266 225 HA ASP 29 HA ASP 29 19.505 -23.828 25.598 226 HB2 ASP 29 HB2 ASP 29 18.171 -23.218 23.647 227 HB3 ASP 29 HB3 ASP 29 18.845 -24.568 22.740 228 H SER 30 H SER 30 21.209 -25.582 23.039 229 HA SER 30 HA SER 30 20.790 -28.156 24.199 230 HB2 SER 30 HB2 SER 30 21.218 -27.920 21.805 231 HB3 SER 30 HB3 SER 30 22.808 -27.234 22.138 232 HG SER 30 HG SER 30 23.444 -29.233 22.049 233 H THR 31 H THR 31 23.360 -25.756 24.335 234 HA THR 31 HA THR 31 25.272 -27.360 25.664 235 HB THR 31 HB THR 31 24.961 -24.351 25.677 236 HG1 THR 31 HG1 THR 31 26.603 -24.509 24.049 237 HG21 THR 31 HG21 THR 31 27.565 -24.693 26.067 238 HG22 THR 31 HG22 THR 31 27.003 -26.183 26.825 239 HG23 THR 31 HG23 THR 31 26.427 -24.623 27.411 240 H MET 32 H MET 32 22.637 -25.325 26.799 241 HA MET 32 HA MET 32 23.397 -25.616 29.574 242 HB2 MET 32 HB2 MET 32 21.270 -24.171 28.076 243 HB3 MET 32 HB3 MET 32 20.950 -24.570 29.758 244 HG2 MET 32 HG2 MET 32 23.505 -23.226 29.009 245 HG3 MET 32 HG3 MET 32 22.018 -22.290 29.139 246 HE1 MET 32 HE1 MET 32 21.687 -21.035 30.719 247 HE2 MET 32 HE2 MET 32 21.524 -21.425 32.431 248 HE3 MET 32 HE3 MET 32 23.055 -20.807 31.809 249 H SER 33 H SER 33 20.975 -26.927 27.370 250 HA SER 33 HA SER 33 20.364 -28.980 29.387 251 HB2 SER 33 HB2 SER 33 18.520 -27.274 29.165 252 HB3 SER 33 HB3 SER 33 18.319 -27.803 27.495 253 HG SER 33 HG SER 33 16.936 -28.828 29.145 254 HA PRO 34 HA PRO 34 21.717 -30.820 25.318 255 HB2 PRO 34 HB2 PRO 34 23.578 -32.474 26.399 256 HB3 PRO 34 HB3 PRO 34 23.933 -30.809 25.924 257 HG2 PRO 34 HG2 PRO 34 23.332 -31.916 28.639 258 HG3 PRO 34 HG3 PRO 34 24.565 -30.735 28.160 259 HD2 PRO 34 HD2 PRO 34 22.220 -30.010 29.304 260 HD3 PRO 34 HD3 PRO 34 23.058 -28.992 28.116 261 H LYS 35 H LYS 35 19.725 -31.885 25.143 262 HA LYS 35 HA LYS 35 19.532 -34.442 26.596 263 HB2 LYS 35 HB2 LYS 35 17.393 -32.574 25.591 264 HB3 LYS 35 HB3 LYS 35 17.047 -34.249 26.000 265 HG2 LYS 35 HG2 LYS 35 18.391 -32.443 27.969 266 HG3 LYS 35 HG3 LYS 35 16.638 -32.425 27.766 267 HD2 LYS 35 HD2 LYS 35 16.426 -34.657 28.462 268 HD3 LYS 35 HD3 LYS 35 18.147 -34.979 28.240 269 HE2 LYS 35 HE2 LYS 35 17.148 -32.978 30.245 270 HE3 LYS 35 HE3 LYS 35 17.288 -34.692 30.633 271 HZ1 LYS 35 HZ1 LYS 35 19.671 -34.467 29.843 272 HZ2 LYS 35 HZ2 LYS 35 19.289 -33.745 31.325 273 HZ3 LYS 35 HZ3 LYS 35 19.443 -32.793 29.935 274 H ASN 36 H ASN 36 21.120 -34.774 24.601 275 HA ASN 36 HA ASN 36 21.517 -35.816 22.616 276 HB2 ASN 36 HB2 ASN 36 18.747 -36.962 23.029 277 HB3 ASN 36 HB3 ASN 36 20.031 -37.645 22.036 278 HD21 ASN 36 HD21 ASN 36 22.076 -38.142 23.226 279 HD22 ASN 36 HD22 ASN 36 21.922 -38.830 24.804 280 H ARG 37 H ARG 37 20.514 -33.197 22.402 281 HA ARG 37 HA ARG 37 18.792 -33.354 20.020 282 HB2 ARG 37 HB2 ARG 37 18.037 -32.001 22.045 283 HB3 ARG 37 HB3 ARG 37 19.335 -30.880 21.654 284 HG2 ARG 37 HG2 ARG 37 18.331 -30.238 19.643 285 HG3 ARG 37 HG3 ARG 37 17.254 -31.636 19.634 286 HD2 ARG 37 HD2 ARG 37 15.961 -30.753 21.423 287 HD3 ARG 37 HD3 ARG 37 17.146 -29.486 21.738 288 HE ARG 37 HE ARG 37 16.285 -29.136 19.131 289 HH11 ARG 37 HH11 ARG 37 14.899 -29.095 22.324 290 HH12 ARG 37 HH12 ARG 37 13.664 -27.950 21.915 291 HH21 ARG 37 HH21 ARG 37 14.665 -27.628 18.580 292 HH22 ARG 37 HH22 ARG 37 13.532 -27.117 19.785 293 H LEU 38 H LEU 38 20.835 -33.980 18.897 294 HA LEU 38 HA LEU 38 22.589 -31.689 18.358 295 HB2 LEU 38 HB2 LEU 38 23.353 -34.125 19.006 296 HB3 LEU 38 HB3 LEU 38 23.117 -34.417 17.284 297 HG LEU 38 HG LEU 38 24.819 -32.121 18.133 298 HD11 LEU 38 HD11 LEU 38 26.571 -33.341 18.836 299 HD12 LEU 38 HD12 LEU 38 26.218 -34.677 17.740 300 HD13 LEU 38 HD13 LEU 38 25.332 -34.523 19.257 301 HD21 LEU 38 HD21 LEU 38 24.948 -32.056 15.907 302 HD22 LEU 38 HD22 LEU 38 24.261 -33.672 15.734 303 HD23 LEU 38 HD23 LEU 38 25.988 -33.475 16.042 304 H GLU 39 H GLU 39 22.191 -30.529 16.604 305 HA GLU 39 HA GLU 39 20.591 -31.683 14.448 306 HB2 GLU 39 HB2 GLU 39 19.806 -29.558 15.253 307 HB3 GLU 39 HB3 GLU 39 21.403 -28.844 15.076 308 HG2 GLU 39 HG2 GLU 39 21.230 -28.686 12.787 309 HG3 GLU 39 HG3 GLU 39 20.020 -29.964 12.685 Start of MODEL 14 1 H1 MET 1 H MET 1 0.083 0.185 -2.737 2 HA MET 1 HA MET 1 2.066 0.347 -4.325 3 HB2 MET 1 HB2 MET 1 2.710 2.638 -3.581 4 HB3 MET 1 HB3 MET 1 0.973 2.395 -3.698 5 HG2 MET 1 HG2 MET 1 0.714 2.320 -1.370 6 HG3 MET 1 HG3 MET 1 2.442 2.102 -1.103 7 HE1 MET 1 HE1 MET 1 0.157 5.749 -2.409 8 HE2 MET 1 HE2 MET 1 1.356 5.357 -3.641 9 HE3 MET 1 HE3 MET 1 0.163 4.151 -3.155 10 H ILE 2 H ILE 2 2.948 -1.701 -2.728 11 HA ILE 2 HA ILE 2 5.152 -0.951 -1.083 12 HB ILE 2 HB ILE 2 5.744 -3.332 -1.102 13 HG12 ILE 2 HG12 ILE 2 3.829 -4.742 -2.334 14 HG13 ILE 2 HG13 ILE 2 3.846 -3.337 -3.393 15 HG21 ILE 2 HG21 ILE 2 3.766 -4.161 -0.003 16 HG22 ILE 2 HG22 ILE 2 3.988 -2.461 0.406 17 HG23 ILE 2 HG23 ILE 2 2.774 -2.929 -0.784 18 HD11 ILE 2 HD11 ILE 2 5.499 -4.341 -4.474 19 HD12 ILE 2 HD12 ILE 2 6.516 -3.961 -3.084 20 HD13 ILE 2 HD13 ILE 2 5.717 -5.530 -3.190 21 H SER 3 H SER 3 7.363 -1.118 -1.500 22 HA SER 3 HA SER 3 8.064 -0.938 -4.348 23 HB2 SER 3 HB2 SER 3 8.859 1.028 -3.452 24 HB3 SER 3 HB3 SER 3 9.152 0.312 -1.867 25 HG SER 3 HG SER 3 11.143 0.534 -2.686 26 H ASP 4 H ASP 4 9.610 -2.225 -5.244 27 HA ASP 4 HA ASP 4 10.065 -4.765 -4.211 28 HB2 ASP 4 HB2 ASP 4 11.866 -4.924 -5.952 29 HB3 ASP 4 HB3 ASP 4 10.310 -4.373 -6.566 30 H GLU 5 H GLU 5 12.067 -1.858 -4.037 31 HA GLU 5 HA GLU 5 14.349 -3.034 -2.902 32 HB2 GLU 5 HB2 GLU 5 13.260 -0.227 -2.656 33 HB3 GLU 5 HB3 GLU 5 14.846 -0.718 -2.080 34 HG2 GLU 5 HG2 GLU 5 15.658 -1.064 -4.232 35 HG3 GLU 5 HG3 GLU 5 14.042 -1.144 -4.930 36 H GLN 6 H GLN 6 11.464 -1.622 -1.412 37 HA GLN 6 HA GLN 6 12.322 -1.838 1.261 38 HB2 GLN 6 HB2 GLN 6 9.712 -1.459 -0.113 39 HB3 GLN 6 HB3 GLN 6 9.672 -1.980 1.567 40 HG2 GLN 6 HG2 GLN 6 11.202 0.428 0.622 41 HG3 GLN 6 HG3 GLN 6 9.533 0.493 1.187 42 HE21 GLN 6 HE21 GLN 6 9.155 0.633 3.304 43 HE22 GLN 6 HE22 GLN 6 10.357 0.510 4.539 44 H LEU 7 H LEU 7 10.389 -4.015 -0.770 45 HA LEU 7 HA LEU 7 9.908 -5.967 1.196 46 HB2 LEU 7 HB2 LEU 7 9.761 -5.817 -1.751 47 HB3 LEU 7 HB3 LEU 7 9.877 -7.432 -1.056 48 HG LEU 7 HG LEU 7 7.556 -6.731 -1.521 49 HD11 LEU 7 HD11 LEU 7 8.602 -7.673 1.019 50 HD12 LEU 7 HD12 LEU 7 7.241 -8.262 0.064 51 HD13 LEU 7 HD13 LEU 7 7.018 -6.912 1.176 52 HD21 LEU 7 HD21 LEU 7 7.884 -4.325 -1.059 53 HD22 LEU 7 HD22 LEU 7 8.011 -4.698 0.660 54 HD23 LEU 7 HD23 LEU 7 6.503 -5.009 -0.201 55 H ASN 8 H ASN 8 12.436 -5.744 -1.294 56 HA ASN 8 HA ASN 8 13.738 -8.148 -0.713 57 HB2 ASN 8 HB2 ASN 8 14.242 -6.948 -2.744 58 HB3 ASN 8 HB3 ASN 8 14.821 -5.557 -1.832 59 HD21 ASN 8 HD21 ASN 8 15.415 -9.042 -1.565 60 HD22 ASN 8 HD22 ASN 8 17.136 -8.930 -1.679 61 H SER 9 H SER 9 14.413 -4.861 0.473 62 HA SER 9 HA SER 9 16.575 -5.511 2.120 63 HB2 SER 9 HB2 SER 9 16.176 -3.210 1.640 64 HB3 SER 9 HB3 SER 9 14.535 -3.290 2.281 65 HG SER 9 HG SER 9 16.105 -2.323 3.717 66 H LEU 10 H LEU 10 13.103 -5.463 2.792 67 HA LEU 10 HA LEU 10 13.295 -6.013 5.555 68 HB2 LEU 10 HB2 LEU 10 11.139 -6.254 3.503 69 HB3 LEU 10 HB3 LEU 10 10.899 -6.950 5.104 70 HG LEU 10 HG LEU 10 11.638 -4.062 4.730 71 HD11 LEU 10 HD11 LEU 10 9.678 -3.807 3.674 72 HD12 LEU 10 HD12 LEU 10 8.977 -4.021 5.278 73 HD13 LEU 10 HD13 LEU 10 9.086 -5.392 4.174 74 HD21 LEU 10 HD21 LEU 10 11.935 -4.700 6.956 75 HD22 LEU 10 HD22 LEU 10 10.512 -5.743 6.946 76 HD23 LEU 10 HD23 LEU 10 10.321 -3.989 6.929 77 H ALA 11 H ALA 11 13.162 -8.071 2.708 78 HA ALA 11 HA ALA 11 12.755 -10.523 4.059 79 HB1 ALA 11 HB1 ALA 11 13.359 -9.656 1.348 80 HB2 ALA 11 HB2 ALA 11 14.129 -11.186 1.769 81 HB3 ALA 11 HB3 ALA 11 12.380 -11.010 1.914 82 H ILE 12 H ILE 12 15.725 -9.077 2.712 83 HA ILE 12 HA ILE 12 17.491 -11.033 3.662 84 HB ILE 12 HB ILE 12 18.186 -9.462 1.958 85 HG12 ILE 12 HG12 ILE 12 20.384 -8.803 2.883 86 HG13 ILE 12 HG13 ILE 12 19.786 -9.130 4.506 87 HG21 ILE 12 HG21 ILE 12 16.891 -7.532 2.832 88 HG22 ILE 12 HG22 ILE 12 18.119 -7.323 4.079 89 HG23 ILE 12 HG23 ILE 12 18.546 -7.124 2.379 90 HD11 ILE 12 HD11 ILE 12 20.254 -11.284 4.317 91 HD12 ILE 12 HD12 ILE 12 19.400 -11.403 2.778 92 HD13 ILE 12 HD13 ILE 12 21.088 -10.895 2.813 93 H THR 13 H THR 13 16.317 -8.048 5.136 94 HA THR 13 HA THR 13 18.019 -8.042 7.377 95 HB THR 13 HB THR 13 15.225 -6.915 7.106 96 HG1 THR 13 HG1 THR 13 16.337 -4.996 6.627 97 HG21 THR 13 HG21 THR 13 16.213 -5.352 8.946 98 HG22 THR 13 HG22 THR 13 17.293 -6.711 9.259 99 HG23 THR 13 HG23 THR 13 15.548 -6.920 9.399 100 H PHE 14 H PHE 14 14.700 -9.274 6.994 101 HA PHE 14 HA PHE 14 14.450 -10.275 9.614 102 HB2 PHE 14 HB2 PHE 14 12.540 -9.881 8.078 103 HB3 PHE 14 HB3 PHE 14 13.063 -11.257 7.111 104 HD1 PHE 14 HD1 PHE 14 12.284 -13.384 7.597 105 HD2 PHE 14 HD2 PHE 14 11.997 -10.329 10.548 106 HE1 PHE 14 HE1 PHE 14 10.957 -14.888 9.021 107 HE2 PHE 14 HE2 PHE 14 10.670 -11.830 11.977 108 HZ PHE 14 HZ PHE 14 10.147 -14.112 11.214 109 H GLY 15 H GLY 15 15.810 -11.629 6.683 110 HA2 GLY 15 HA2 GLY 15 15.948 -14.324 7.549 111 HA3 GLY 15 HA3 GLY 15 16.908 -13.604 6.266 112 H ILE 16 H ILE 16 18.510 -11.846 7.382 113 HA ILE 16 HA ILE 16 20.473 -13.383 8.666 114 HB ILE 16 HB ILE 16 21.058 -11.398 7.392 115 HG12 ILE 16 HG12 ILE 16 22.660 -10.396 8.961 116 HG13 ILE 16 HG13 ILE 16 21.775 -11.088 10.316 117 HG21 ILE 16 HG21 ILE 16 19.021 -10.105 8.115 118 HG22 ILE 16 HG22 ILE 16 19.885 -9.734 9.606 119 HG23 ILE 16 HG23 ILE 16 20.525 -9.186 8.057 120 HD11 ILE 16 HD11 ILE 16 22.852 -13.013 10.127 121 HD12 ILE 16 HD12 ILE 16 22.511 -13.113 8.399 122 HD13 ILE 16 HD13 ILE 16 23.916 -12.213 8.971 123 H VAL 17 H VAL 17 18.151 -11.034 9.950 124 HA VAL 17 HA VAL 17 19.074 -11.063 12.612 125 HB VAL 17 HB VAL 17 16.328 -10.452 11.516 126 HG11 VAL 17 HG11 VAL 17 15.808 -10.840 13.714 127 HG12 VAL 17 HG12 VAL 17 17.418 -10.397 14.287 128 HG13 VAL 17 HG13 VAL 17 16.278 -9.143 13.796 129 HG21 VAL 17 HG21 VAL 17 18.467 -9.055 10.952 130 HG22 VAL 17 HG22 VAL 17 16.962 -8.243 11.382 131 HG23 VAL 17 HG23 VAL 17 18.240 -8.425 12.583 132 H MET 18 H MET 18 16.604 -12.975 10.942 133 HA MET 18 HA MET 18 15.645 -14.361 13.191 134 HB2 MET 18 HB2 MET 18 14.473 -14.300 11.025 135 HB3 MET 18 HB3 MET 18 15.748 -15.280 10.312 136 HG2 MET 18 HG2 MET 18 14.030 -16.785 10.755 137 HG3 MET 18 HG3 MET 18 15.173 -17.019 12.077 138 HE1 MET 18 HE1 MET 18 13.806 -17.522 14.543 139 HE2 MET 18 HE2 MET 18 12.115 -17.737 14.093 140 HE3 MET 18 HE3 MET 18 13.391 -18.367 13.051 141 H MET 19 H MET 19 18.081 -15.306 10.769 142 HA MET 19 HA MET 19 18.741 -17.778 11.907 143 HB2 MET 19 HB2 MET 19 19.380 -17.003 9.617 144 HB3 MET 19 HB3 MET 19 20.585 -15.956 10.354 145 HG2 MET 19 HG2 MET 19 20.662 -18.826 11.069 146 HG3 MET 19 HG3 MET 19 21.154 -18.379 9.437 147 HE1 MET 19 HE1 MET 19 24.760 -18.409 10.368 148 HE2 MET 19 HE2 MET 19 23.527 -19.666 10.458 149 HE3 MET 19 HE3 MET 19 23.538 -18.537 9.102 150 H THR 20 H THR 20 20.033 -14.539 12.473 151 HA THR 20 HA THR 20 22.185 -15.258 14.123 152 HB THR 20 HB THR 20 20.539 -12.720 14.169 153 HG1 THR 20 HG1 THR 20 22.118 -11.953 12.767 154 HG21 THR 20 HG21 THR 20 21.703 -12.583 16.158 155 HG22 THR 20 HG22 THR 20 22.860 -11.862 15.039 156 HG23 THR 20 HG23 THR 20 23.057 -13.537 15.554 157 H LEU 21 H LEU 21 18.870 -14.276 14.977 158 HA LEU 21 HA LEU 21 19.155 -14.505 17.755 159 HB2 LEU 21 HB2 LEU 21 16.697 -14.890 16.053 160 HB3 LEU 21 HB3 LEU 21 16.698 -14.665 17.801 161 HG LEU 21 HG LEU 21 17.899 -12.577 16.028 162 HD11 LEU 21 HD11 LEU 21 15.671 -13.078 15.106 163 HD12 LEU 21 HD12 LEU 21 15.759 -11.474 15.831 164 HD13 LEU 21 HD13 LEU 21 14.968 -12.790 16.697 165 HD21 LEU 21 HD21 LEU 21 16.473 -12.483 18.685 166 HD22 LEU 21 HD22 LEU 21 17.210 -11.113 17.853 167 HD23 LEU 21 HD23 LEU 21 18.220 -12.433 18.448 168 H ILE 22 H ILE 22 17.602 -16.809 15.514 169 HA ILE 22 HA ILE 22 17.211 -18.875 17.322 170 HB ILE 22 HB ILE 22 16.319 -18.756 14.971 171 HG12 ILE 22 HG12 ILE 22 16.388 -21.219 14.637 172 HG13 ILE 22 HG13 ILE 22 17.656 -21.323 15.853 173 HG21 ILE 22 HG21 ILE 22 18.408 -18.254 13.828 174 HG22 ILE 22 HG22 ILE 22 19.053 -19.828 14.291 175 HG23 ILE 22 HG23 ILE 22 17.684 -19.728 13.184 176 HD11 ILE 22 HD11 ILE 22 14.834 -21.305 16.201 177 HD12 ILE 22 HD12 ILE 22 16.103 -21.518 17.407 178 HD13 ILE 22 HD13 ILE 22 15.523 -19.900 17.014 179 H ASP 23 H ASP 23 20.097 -17.924 15.597 180 HA ASP 23 HA ASP 23 21.592 -20.289 16.032 181 HB2 ASP 23 HB2 ASP 23 22.273 -18.708 14.328 182 HB3 ASP 23 HB3 ASP 23 22.490 -17.445 15.535 183 H ILE 24 H ILE 24 21.590 -17.158 17.731 184 HA ILE 24 HA ILE 24 23.412 -17.923 19.740 185 HB ILE 24 HB ILE 24 21.266 -15.800 19.835 186 HG12 ILE 24 HG12 ILE 24 22.916 -15.523 18.008 187 HG13 ILE 24 HG13 ILE 24 23.042 -14.253 19.221 188 HG21 ILE 24 HG21 ILE 24 23.543 -16.459 21.669 189 HG22 ILE 24 HG22 ILE 24 22.904 -14.820 21.558 190 HG23 ILE 24 HG23 ILE 24 21.853 -16.143 22.063 191 HD11 ILE 24 HD11 ILE 24 24.793 -16.345 19.972 192 HD12 ILE 24 HD12 ILE 24 25.054 -15.996 18.263 193 HD13 ILE 24 HD13 ILE 24 25.188 -14.705 19.457 194 H TYR 25 H TYR 25 19.876 -17.981 19.598 195 HA TYR 25 HA TYR 25 19.476 -18.808 22.275 196 HB2 TYR 25 HB2 TYR 25 17.772 -17.805 20.627 197 HB3 TYR 25 HB3 TYR 25 17.598 -19.444 20.009 198 HD1 TYR 25 HD1 TYR 25 17.846 -17.969 23.440 199 HD2 TYR 25 HD2 TYR 25 15.647 -20.418 20.744 200 HE1 TYR 25 HE1 TYR 25 16.223 -18.462 25.221 201 HE2 TYR 25 HE2 TYR 25 14.017 -20.917 22.517 202 HH TYR 25 HH TYR 25 13.859 -19.183 25.410 203 H HIS 26 H HIS 26 19.990 -20.543 19.263 204 HA HIS 26 HA HIS 26 19.362 -23.124 20.278 205 HB2 HIS 26 HB2 HIS 26 19.288 -22.782 17.905 206 HB3 HIS 26 HB3 HIS 26 20.958 -22.225 17.876 207 HD1 HIS 26 HD1 HIS 26 18.953 -25.383 18.440 208 HD2 HIS 26 HD2 HIS 26 22.824 -24.194 17.512 209 HE1 HIS 26 HE1 HIS 26 20.188 -27.499 17.874 210 H ALA 27 H ALA 27 22.373 -21.305 19.904 211 HA ALA 27 HA ALA 27 24.105 -23.383 20.732 212 HB1 ALA 27 HB1 ALA 27 24.361 -20.419 20.466 213 HB2 ALA 27 HB2 ALA 27 25.631 -21.343 21.270 214 HB3 ALA 27 HB3 ALA 27 25.203 -21.703 19.597 215 H VAL 28 H VAL 28 22.713 -20.617 22.488 216 HA VAL 28 HA VAL 28 23.876 -21.226 24.983 217 HB VAL 28 HB VAL 28 21.326 -19.711 24.405 218 HG11 VAL 28 HG11 VAL 28 21.093 -19.976 26.641 219 HG12 VAL 28 HG12 VAL 28 22.811 -20.291 26.894 220 HG13 VAL 28 HG13 VAL 28 22.239 -18.636 26.681 221 HG21 VAL 28 HG21 VAL 28 24.015 -18.528 25.018 222 HG22 VAL 28 HG22 VAL 28 23.531 -18.918 23.368 223 HG23 VAL 28 HG23 VAL 28 22.601 -17.750 24.307 224 H ASP 29 H ASP 29 20.735 -22.057 23.569 225 HA ASP 29 HA ASP 29 19.695 -23.361 25.848 226 HB2 ASP 29 HB2 ASP 29 18.267 -22.604 24.005 227 HB3 ASP 29 HB3 ASP 29 19.025 -23.771 22.926 228 H SER 30 H SER 30 21.502 -24.533 23.041 229 HA SER 30 HA SER 30 21.361 -27.281 23.770 230 HB2 SER 30 HB2 SER 30 22.969 -27.654 22.005 231 HB3 SER 30 HB3 SER 30 21.808 -26.448 21.450 232 HG SER 30 HG SER 30 24.436 -26.225 21.588 233 H THR 31 H THR 31 23.659 -24.688 24.373 234 HA THR 31 HA THR 31 25.670 -26.352 25.523 235 HB THR 31 HB THR 31 25.233 -23.373 25.811 236 HG1 THR 31 HG1 THR 31 26.548 -23.195 24.072 237 HG21 THR 31 HG21 THR 31 27.579 -23.291 26.505 238 HG22 THR 31 HG22 THR 31 27.669 -25.051 26.424 239 HG23 THR 31 HG23 THR 31 26.625 -24.276 27.614 240 H MET 32 H MET 32 22.933 -24.540 26.784 241 HA MET 32 HA MET 32 23.653 -24.981 29.537 242 HB2 MET 32 HB2 MET 32 21.342 -23.729 28.110 243 HB3 MET 32 HB3 MET 32 21.156 -24.182 29.800 244 HG2 MET 32 HG2 MET 32 23.099 -22.795 30.368 245 HG3 MET 32 HG3 MET 32 23.233 -22.316 28.678 246 HE1 MET 32 HE1 MET 32 21.658 -19.494 31.295 247 HE2 MET 32 HE2 MET 32 22.703 -20.862 31.676 248 HE3 MET 32 HE3 MET 32 23.120 -19.776 30.349 249 H SER 33 H SER 33 21.411 -26.390 27.206 250 HA SER 33 HA SER 33 21.036 -28.650 29.048 251 HB2 SER 33 HB2 SER 33 19.031 -27.073 28.971 252 HB3 SER 33 HB3 SER 33 18.811 -27.594 27.301 253 HG SER 33 HG SER 33 17.578 -28.818 28.838 254 HA PRO 34 HA PRO 34 22.438 -29.962 24.795 255 HB2 PRO 34 HB2 PRO 34 24.487 -31.510 25.675 256 HB3 PRO 34 HB3 PRO 34 24.660 -29.781 25.350 257 HG2 PRO 34 HG2 PRO 34 24.256 -31.188 27.962 258 HG3 PRO 34 HG3 PRO 34 25.350 -29.848 27.570 259 HD2 PRO 34 HD2 PRO 34 22.982 -29.474 28.828 260 HD3 PRO 34 HD3 PRO 34 23.677 -28.270 27.723 261 H LYS 35 H LYS 35 21.500 -31.684 23.893 262 HA LYS 35 HA LYS 35 20.283 -33.700 25.565 263 HB2 LYS 35 HB2 LYS 35 20.276 -33.212 22.588 264 HB3 LYS 35 HB3 LYS 35 19.475 -34.591 23.328 265 HG2 LYS 35 HG2 LYS 35 18.303 -32.778 24.784 266 HG3 LYS 35 HG3 LYS 35 18.785 -31.694 23.477 267 HD2 LYS 35 HD2 LYS 35 17.395 -34.271 22.857 268 HD3 LYS 35 HD3 LYS 35 16.464 -32.868 23.387 269 HE2 LYS 35 HE2 LYS 35 17.337 -31.556 21.549 270 HE3 LYS 35 HE3 LYS 35 18.373 -32.893 21.051 271 HZ1 LYS 35 HZ1 LYS 35 15.744 -32.386 20.282 272 HZ2 LYS 35 HZ2 LYS 35 15.719 -33.800 21.210 273 HZ3 LYS 35 HZ3 LYS 35 16.718 -33.700 19.849 274 H ASN 36 H ASN 36 20.582 -35.986 25.264 275 HA ASN 36 HA ASN 36 23.234 -36.697 24.196 276 HB2 ASN 36 HB2 ASN 36 21.935 -37.487 26.791 277 HB3 ASN 36 HB3 ASN 36 23.168 -38.505 26.052 278 HD21 ASN 36 HD21 ASN 36 23.357 -37.215 28.566 279 HD22 ASN 36 HD22 ASN 36 24.667 -36.091 28.481 280 H ARG 37 H ARG 37 20.928 -36.852 22.662 281 HA ARG 37 HA ARG 37 20.556 -39.767 22.462 282 HB2 ARG 37 HB2 ARG 37 18.539 -38.314 23.241 283 HB3 ARG 37 HB3 ARG 37 18.450 -37.835 21.551 284 HG2 ARG 37 HG2 ARG 37 17.985 -40.031 20.845 285 HG3 ARG 37 HG3 ARG 37 18.450 -40.712 22.406 286 HD2 ARG 37 HD2 ARG 37 16.187 -38.761 22.192 287 HD3 ARG 37 HD3 ARG 37 15.939 -40.471 21.839 288 HE ARG 37 HE ARG 37 17.172 -40.461 24.267 289 HH11 ARG 37 HH11 ARG 37 14.312 -38.961 22.968 290 HH12 ARG 37 HH12 ARG 37 13.469 -38.956 24.481 291 HH21 ARG 37 HH21 ARG 37 16.072 -40.460 26.266 292 HH22 ARG 37 HH22 ARG 37 14.471 -39.808 26.357 293 H LEU 38 H LEU 38 21.905 -40.254 20.819 294 HA LEU 38 HA LEU 38 22.570 -38.647 18.650 295 HB2 LEU 38 HB2 LEU 38 22.551 -41.632 18.993 296 HB3 LEU 38 HB3 LEU 38 23.144 -40.855 17.527 297 HG LEU 38 HG LEU 38 24.283 -40.523 20.302 298 HD11 LEU 38 HD11 LEU 38 24.791 -42.696 19.387 299 HD12 LEU 38 HD12 LEU 38 26.234 -41.684 19.337 300 HD13 LEU 38 HD13 LEU 38 25.307 -41.972 17.864 301 HD21 LEU 38 HD21 LEU 38 24.725 -38.489 19.293 302 HD22 LEU 38 HD22 LEU 38 24.863 -39.198 17.684 303 HD23 LEU 38 HD23 LEU 38 26.151 -39.436 18.866 304 H GLU 39 H GLU 39 21.487 -38.004 16.912 305 HA GLU 39 HA GLU 39 18.799 -38.640 16.453 306 HB2 GLU 39 HB2 GLU 39 19.079 -37.461 14.304 307 HB3 GLU 39 HB3 GLU 39 19.769 -36.565 15.650 308 HG2 GLU 39 HG2 GLU 39 21.367 -36.344 13.999 309 HG3 GLU 39 HG3 GLU 39 21.988 -37.673 14.975 Start of MODEL 15 1 H1 MET 1 H MET 1 1.396 -6.383 -3.729 2 HA MET 1 HA MET 1 1.559 -4.120 -3.532 3 HB2 MET 1 HB2 MET 1 -0.023 -4.890 -1.099 4 HB3 MET 1 HB3 MET 1 0.396 -3.209 -1.398 5 HG2 MET 1 HG2 MET 1 -0.797 -3.215 -3.472 6 HG3 MET 1 HG3 MET 1 -1.078 -4.950 -3.355 7 HE1 MET 1 HE1 MET 1 -3.953 -2.657 -3.471 8 HE2 MET 1 HE2 MET 1 -3.235 -4.124 -4.136 9 HE3 MET 1 HE3 MET 1 -4.569 -4.238 -2.987 10 H ILE 2 H ILE 2 3.936 -5.127 -3.045 11 HA ILE 2 HA ILE 2 4.958 -3.448 -0.876 12 HB ILE 2 HB ILE 2 6.666 -5.410 -0.499 13 HG12 ILE 2 HG12 ILE 2 5.597 -7.619 -0.664 14 HG13 ILE 2 HG13 ILE 2 4.182 -6.882 -1.408 15 HG21 ILE 2 HG21 ILE 2 5.478 -4.655 1.347 16 HG22 ILE 2 HG22 ILE 2 3.919 -5.085 0.644 17 HG23 ILE 2 HG23 ILE 2 4.998 -6.348 1.236 18 HD11 ILE 2 HD11 ILE 2 6.076 -8.032 -2.834 19 HD12 ILE 2 HD12 ILE 2 5.214 -6.606 -3.412 20 HD13 ILE 2 HD13 ILE 2 6.816 -6.438 -2.694 21 H SER 3 H SER 3 7.325 -3.118 -1.031 22 HA SER 3 HA SER 3 8.088 -2.851 -3.838 23 HB2 SER 3 HB2 SER 3 9.574 -1.736 -1.459 24 HB3 SER 3 HB3 SER 3 9.643 -1.196 -3.137 25 HG SER 3 HG SER 3 8.175 0.173 -2.514 26 H ASP 4 H ASP 4 9.948 -3.703 -4.709 27 HA ASP 4 HA ASP 4 10.862 -6.159 -3.684 28 HB2 ASP 4 HB2 ASP 4 11.798 -4.349 -5.891 29 HB3 ASP 4 HB3 ASP 4 12.728 -5.780 -5.455 30 H GLU 5 H GLU 5 12.174 -2.894 -3.523 31 HA GLU 5 HA GLU 5 14.692 -3.600 -2.438 32 HB2 GLU 5 HB2 GLU 5 13.796 -1.342 -3.469 33 HB3 GLU 5 HB3 GLU 5 13.405 -0.981 -1.793 34 HG2 GLU 5 HG2 GLU 5 15.856 -1.638 -1.323 35 HG3 GLU 5 HG3 GLU 5 16.079 -1.402 -3.056 36 H GLN 6 H GLN 6 11.769 -2.283 -0.874 37 HA GLN 6 HA GLN 6 12.730 -2.490 1.758 38 HB2 GLN 6 HB2 GLN 6 10.735 -1.155 0.958 39 HB3 GLN 6 HB3 GLN 6 9.835 -2.665 0.924 40 HG2 GLN 6 HG2 GLN 6 9.287 -1.679 2.966 41 HG3 GLN 6 HG3 GLN 6 10.468 -2.924 3.367 42 HE21 GLN 6 HE21 GLN 6 12.682 -2.234 3.697 43 HE22 GLN 6 HE22 GLN 6 12.991 -0.660 4.339 44 H LEU 7 H LEU 7 10.768 -4.706 -0.195 45 HA LEU 7 HA LEU 7 10.332 -6.637 1.797 46 HB2 LEU 7 HB2 LEU 7 9.033 -6.613 -0.231 47 HB3 LEU 7 HB3 LEU 7 10.476 -6.901 -1.201 48 HG LEU 7 HG LEU 7 10.575 -9.109 0.259 49 HD11 LEU 7 HD11 LEU 7 8.155 -9.918 0.446 50 HD12 LEU 7 HD12 LEU 7 7.718 -8.211 0.409 51 HD13 LEU 7 HD13 LEU 7 8.757 -8.827 1.694 52 HD21 LEU 7 HD21 LEU 7 9.892 -8.463 -2.328 53 HD22 LEU 7 HD22 LEU 7 8.514 -9.415 -1.775 54 HD23 LEU 7 HD23 LEU 7 10.142 -10.092 -1.698 55 H ASN 8 H ASN 8 12.790 -6.513 -0.779 56 HA ASN 8 HA ASN 8 14.137 -8.859 -0.154 57 HB2 ASN 8 HB2 ASN 8 14.573 -7.598 -2.201 58 HB3 ASN 8 HB3 ASN 8 15.268 -6.280 -1.262 59 HD21 ASN 8 HD21 ASN 8 15.628 -9.785 -1.680 60 HD22 ASN 8 HD22 ASN 8 17.356 -9.783 -1.640 61 H SER 9 H SER 9 14.796 -5.556 0.994 62 HA SER 9 HA SER 9 16.980 -6.160 2.623 63 HB2 SER 9 HB2 SER 9 15.979 -3.859 1.931 64 HB3 SER 9 HB3 SER 9 14.992 -4.036 3.381 65 HG SER 9 HG SER 9 17.828 -4.069 3.254 66 H LEU 10 H LEU 10 13.517 -6.090 3.383 67 HA LEU 10 HA LEU 10 13.780 -6.679 6.128 68 HB2 LEU 10 HB2 LEU 10 11.615 -6.616 4.141 69 HB3 LEU 10 HB3 LEU 10 11.347 -7.703 5.502 70 HG LEU 10 HG LEU 10 11.645 -5.815 7.048 71 HD11 LEU 10 HD11 LEU 10 13.122 -4.529 5.441 72 HD12 LEU 10 HD12 LEU 10 11.920 -3.592 6.326 73 HD13 LEU 10 HD13 LEU 10 11.637 -4.020 4.638 74 HD21 LEU 10 HD21 LEU 10 9.429 -5.782 6.865 75 HD22 LEU 10 HD22 LEU 10 9.501 -6.154 5.143 76 HD23 LEU 10 HD23 LEU 10 9.617 -4.481 5.690 77 H ALA 11 H ALA 11 13.568 -8.702 3.265 78 HA ALA 11 HA ALA 11 13.141 -11.166 4.576 79 HB1 ALA 11 HB1 ALA 11 14.439 -10.610 1.911 80 HB2 ALA 11 HB2 ALA 11 13.888 -12.189 2.473 81 HB3 ALA 11 HB3 ALA 11 12.723 -10.894 2.200 82 H ILE 12 H ILE 12 16.134 -9.731 3.268 83 HA ILE 12 HA ILE 12 17.862 -11.733 4.221 84 HB ILE 12 HB ILE 12 18.579 -10.191 2.492 85 HG12 ILE 12 HG12 ILE 12 20.800 -9.579 3.404 86 HG13 ILE 12 HG13 ILE 12 20.204 -9.897 5.030 87 HG21 ILE 12 HG21 ILE 12 19.035 -7.858 2.926 88 HG22 ILE 12 HG22 ILE 12 17.355 -8.218 3.322 89 HG23 ILE 12 HG23 ILE 12 18.547 -8.046 4.610 90 HD11 ILE 12 HD11 ILE 12 21.587 -11.707 3.919 91 HD12 ILE 12 HD12 ILE 12 20.052 -12.199 4.637 92 HD13 ILE 12 HD13 ILE 12 20.184 -11.995 2.890 93 H THR 13 H THR 13 16.696 -8.743 5.674 94 HA THR 13 HA THR 13 18.420 -8.709 7.902 95 HB THR 13 HB THR 13 15.626 -7.583 7.634 96 HG1 THR 13 HG1 THR 13 18.207 -6.647 7.003 97 HG21 THR 13 HG21 THR 13 15.955 -7.560 9.925 98 HG22 THR 13 HG22 THR 13 16.632 -6.001 9.453 99 HG23 THR 13 HG23 THR 13 17.701 -7.366 9.776 100 H PHE 14 H PHE 14 15.071 -9.891 7.587 101 HA PHE 14 HA PHE 14 14.852 -10.884 10.206 102 HB2 PHE 14 HB2 PHE 14 13.385 -11.351 7.644 103 HB3 PHE 14 HB3 PHE 14 13.084 -12.434 8.999 104 HD1 PHE 14 HD1 PHE 14 12.988 -10.870 11.325 105 HD2 PHE 14 HD2 PHE 14 11.719 -9.806 7.404 106 HE1 PHE 14 HE1 PHE 14 11.417 -9.236 12.281 107 HE2 PHE 14 HE2 PHE 14 10.146 -8.170 8.354 108 HZ PHE 14 HZ PHE 14 9.993 -7.884 10.795 109 H GLY 15 H GLY 15 16.035 -12.345 7.226 110 HA2 GLY 15 HA2 GLY 15 16.209 -15.004 8.151 111 HA3 GLY 15 HA3 GLY 15 17.134 -14.319 6.822 112 H ILE 16 H ILE 16 18.754 -12.517 7.910 113 HA ILE 16 HA ILE 16 20.777 -14.048 9.104 114 HB ILE 16 HB ILE 16 20.470 -11.043 9.081 115 HG12 ILE 16 HG12 ILE 16 22.159 -12.749 7.254 116 HG13 ILE 16 HG13 ILE 16 20.507 -12.293 6.855 117 HG21 ILE 16 HG21 ILE 16 22.592 -12.848 10.063 118 HG22 ILE 16 HG22 ILE 16 23.118 -11.444 9.135 119 HG23 ILE 16 HG23 ILE 16 22.146 -11.225 10.590 120 HD11 ILE 16 HD11 ILE 16 22.786 -10.395 7.361 121 HD12 ILE 16 HD12 ILE 16 22.114 -10.823 5.787 122 HD13 ILE 16 HD13 ILE 16 21.131 -9.940 6.954 123 H VAL 17 H VAL 17 18.681 -11.545 10.534 124 HA VAL 17 HA VAL 17 19.628 -11.689 13.145 125 HB VAL 17 HB VAL 17 16.809 -11.098 12.231 126 HG11 VAL 17 HG11 VAL 17 18.088 -11.122 14.876 127 HG12 VAL 17 HG12 VAL 17 17.170 -9.663 14.501 128 HG13 VAL 17 HG13 VAL 17 16.385 -11.241 14.435 129 HG21 VAL 17 HG21 VAL 17 18.541 -8.897 13.078 130 HG22 VAL 17 HG22 VAL 17 19.083 -9.717 11.614 131 HG23 VAL 17 HG23 VAL 17 17.464 -9.023 11.688 132 H MET 18 H MET 18 16.912 -13.451 11.663 133 HA MET 18 HA MET 18 16.102 -14.893 13.895 134 HB2 MET 18 HB2 MET 18 14.754 -14.880 11.907 135 HB3 MET 18 HB3 MET 18 16.038 -15.629 10.968 136 HG2 MET 18 HG2 MET 18 15.800 -17.685 12.198 137 HG3 MET 18 HG3 MET 18 14.612 -16.943 13.267 138 HE1 MET 18 HE1 MET 18 14.135 -19.309 9.721 139 HE2 MET 18 HE2 MET 18 14.650 -17.792 8.984 140 HE3 MET 18 HE3 MET 18 15.620 -18.526 10.261 141 H MET 19 H MET 19 18.423 -15.853 11.369 142 HA MET 19 HA MET 19 19.103 -18.332 12.510 143 HB2 MET 19 HB2 MET 19 19.586 -17.612 10.158 144 HB3 MET 19 HB3 MET 19 20.871 -16.589 10.787 145 HG2 MET 19 HG2 MET 19 20.897 -19.460 11.525 146 HG3 MET 19 HG3 MET 19 21.326 -19.023 9.873 147 HE1 MET 19 HE1 MET 19 23.123 -20.353 12.506 148 HE2 MET 19 HE2 MET 19 23.545 -20.441 10.796 149 HE3 MET 19 HE3 MET 19 24.689 -19.757 11.953 150 H THR 20 H THR 20 20.198 -15.083 13.136 151 HA THR 20 HA THR 20 22.580 -15.722 14.521 152 HB THR 20 HB THR 20 20.804 -13.292 14.818 153 HG1 THR 20 HG1 THR 20 23.180 -13.652 13.282 154 HG21 THR 20 HG21 THR 20 23.048 -12.268 15.541 155 HG22 THR 20 HG22 THR 20 23.565 -13.932 15.815 156 HG23 THR 20 HG23 THR 20 22.192 -13.277 16.706 157 H LEU 21 H LEU 21 19.388 -14.743 15.787 158 HA LEU 21 HA LEU 21 19.999 -15.267 18.483 159 HB2 LEU 21 HB2 LEU 21 17.764 -14.845 18.941 160 HB3 LEU 21 HB3 LEU 21 18.076 -13.905 17.484 161 HG LEU 21 HG LEU 21 17.122 -16.103 16.329 162 HD11 LEU 21 HD11 LEU 21 16.374 -16.329 19.159 163 HD12 LEU 21 HD12 LEU 21 16.465 -17.563 17.903 164 HD13 LEU 21 HD13 LEU 21 15.046 -16.522 18.015 165 HD21 LEU 21 HD21 LEU 21 16.264 -13.814 16.089 166 HD22 LEU 21 HD22 LEU 21 15.388 -13.992 17.610 167 HD23 LEU 21 HD23 LEU 21 14.963 -14.998 16.224 168 H ILE 22 H ILE 22 18.699 -17.284 15.919 169 HA ILE 22 HA ILE 22 17.976 -19.468 17.604 170 HB ILE 22 HB ILE 22 18.439 -19.287 14.631 171 HG12 ILE 22 HG12 ILE 22 16.446 -18.137 15.589 172 HG13 ILE 22 HG13 ILE 22 16.028 -19.441 14.483 173 HG21 ILE 22 HG21 ILE 22 17.700 -21.649 16.329 174 HG22 ILE 22 HG22 ILE 22 17.258 -21.550 14.625 175 HG23 ILE 22 HG23 ILE 22 18.957 -21.524 15.098 176 HD11 ILE 22 HD11 ILE 22 14.583 -19.441 16.428 177 HD12 ILE 22 HD12 ILE 22 15.573 -20.900 16.387 178 HD13 ILE 22 HD13 ILE 22 15.984 -19.586 17.488 179 H ASP 23 H ASP 23 20.867 -18.561 15.830 180 HA ASP 23 HA ASP 23 22.216 -21.046 16.118 181 HB2 ASP 23 HB2 ASP 23 23.013 -19.637 14.399 182 HB3 ASP 23 HB3 ASP 23 23.132 -18.250 15.477 183 H ILE 24 H ILE 24 22.509 -17.952 17.858 184 HA ILE 24 HA ILE 24 24.391 -18.877 19.748 185 HB ILE 24 HB ILE 24 23.750 -16.892 21.082 186 HG12 ILE 24 HG12 ILE 24 22.124 -15.381 19.503 187 HG13 ILE 24 HG13 ILE 24 21.442 -16.983 19.244 188 HG21 ILE 24 HG21 ILE 24 24.478 -15.229 19.461 189 HG22 ILE 24 HG22 ILE 24 25.396 -16.723 19.278 190 HG23 ILE 24 HG23 ILE 24 24.106 -16.336 18.140 191 HD11 ILE 24 HD11 ILE 24 21.415 -15.275 21.635 192 HD12 ILE 24 HD12 ILE 24 20.230 -16.445 21.053 193 HD13 ILE 24 HD13 ILE 24 21.663 -16.998 21.920 194 H TYR 25 H TYR 25 20.866 -18.774 19.739 195 HA TYR 25 HA TYR 25 20.549 -19.572 22.451 196 HB2 TYR 25 HB2 TYR 25 18.793 -18.402 21.133 197 HB3 TYR 25 HB3 TYR 25 18.588 -19.858 20.165 198 HD1 TYR 25 HD1 TYR 25 18.991 -19.415 23.850 199 HD2 TYR 25 HD2 TYR 25 16.491 -20.712 20.660 200 HE1 TYR 25 HE1 TYR 25 17.359 -20.264 25.482 201 HE2 TYR 25 HE2 TYR 25 14.852 -21.564 22.284 202 HH TYR 25 HH TYR 25 15.555 -21.853 25.626 203 H HIS 26 H HIS 26 20.742 -21.291 19.387 204 HA HIS 26 HA HIS 26 20.012 -23.838 20.422 205 HB2 HIS 26 HB2 HIS 26 19.778 -23.466 18.068 206 HB3 HIS 26 HB3 HIS 26 21.472 -23.008 17.912 207 HD1 HIS 26 HD1 HIS 26 23.234 -24.975 18.134 208 HD2 HIS 26 HD2 HIS 26 19.261 -26.159 17.856 209 HE1 HIS 26 HE1 HIS 26 23.300 -27.425 17.572 210 H ALA 27 H ALA 27 23.082 -22.176 19.924 211 HA ALA 27 HA ALA 27 24.730 -24.399 20.577 212 HB1 ALA 27 HB1 ALA 27 26.451 -23.036 20.099 213 HB2 ALA 27 HB2 ALA 27 25.193 -21.974 19.465 214 HB3 ALA 27 HB3 ALA 27 25.823 -21.721 21.093 215 H VAL 28 H VAL 28 23.689 -21.543 22.431 216 HA VAL 28 HA VAL 28 24.983 -22.242 24.832 217 HB VAL 28 HB VAL 28 22.506 -20.558 24.435 218 HG11 VAL 28 HG11 VAL 28 23.616 -19.563 26.652 219 HG12 VAL 28 HG12 VAL 28 22.403 -20.844 26.683 220 HG13 VAL 28 HG13 VAL 28 24.115 -21.246 26.821 221 HG21 VAL 28 HG21 VAL 28 23.821 -18.856 23.822 222 HG22 VAL 28 HG22 VAL 28 25.019 -19.220 25.064 223 HG23 VAL 28 HG23 VAL 28 25.055 -20.081 23.525 224 H ASP 29 H ASP 29 21.668 -22.813 23.698 225 HA ASP 29 HA ASP 29 20.746 -24.081 26.042 226 HB2 ASP 29 HB2 ASP 29 19.320 -23.160 24.173 227 HB3 ASP 29 HB3 ASP 29 19.752 -24.587 23.234 228 H SER 30 H SER 30 22.112 -25.376 23.035 229 HA SER 30 HA SER 30 21.843 -28.099 23.702 230 HB2 SER 30 HB2 SER 30 22.236 -27.539 21.415 231 HB3 SER 30 HB3 SER 30 23.710 -26.656 21.814 232 HG SER 30 HG SER 30 23.261 -29.447 21.855 233 H THR 31 H THR 31 24.360 -25.735 24.353 234 HA THR 31 HA THR 31 26.221 -27.646 25.406 235 HB THR 31 HB THR 31 26.170 -24.636 25.695 236 HG1 THR 31 HG1 THR 31 27.033 -24.630 23.766 237 HG21 THR 31 HG21 THR 31 28.689 -25.088 26.062 238 HG22 THR 31 HG22 THR 31 28.178 -26.727 26.464 239 HG23 THR 31 HG23 THR 31 27.580 -25.361 27.405 240 H MET 32 H MET 32 23.768 -25.505 26.734 241 HA MET 32 HA MET 32 24.513 -25.919 29.464 242 HB2 MET 32 HB2 MET 32 23.329 -23.902 28.836 243 HB3 MET 32 HB3 MET 32 21.977 -24.843 28.220 244 HG2 MET 32 HG2 MET 32 21.405 -23.915 30.357 245 HG3 MET 32 HG3 MET 32 21.541 -25.667 30.493 246 HE1 MET 32 HE1 MET 32 21.281 -25.213 32.790 247 HE2 MET 32 HE2 MET 32 22.704 -25.458 33.802 248 HE3 MET 32 HE3 MET 32 22.045 -23.836 33.583 249 H SER 33 H SER 33 22.150 -27.342 27.265 250 HA SER 33 HA SER 33 21.800 -29.542 29.174 251 HB2 SER 33 HB2 SER 33 19.865 -27.884 29.265 252 HB3 SER 33 HB3 SER 33 19.476 -28.395 27.623 253 HG SER 33 HG SER 33 18.466 -29.990 28.525 254 HA PRO 34 HA PRO 34 22.758 -30.935 24.824 255 HB2 PRO 34 HB2 PRO 34 24.813 -32.563 25.531 256 HB3 PRO 34 HB3 PRO 34 25.027 -30.845 25.177 257 HG2 PRO 34 HG2 PRO 34 24.803 -32.219 27.827 258 HG3 PRO 34 HG3 PRO 34 25.912 -30.929 27.326 259 HD2 PRO 34 HD2 PRO 34 23.684 -30.448 28.787 260 HD3 PRO 34 HD3 PRO 34 24.326 -29.281 27.614 261 H LYS 35 H LYS 35 21.695 -32.633 24.019 262 HA LYS 35 HA LYS 35 21.493 -35.111 25.526 263 HB2 LYS 35 HB2 LYS 35 18.906 -34.946 24.771 264 HB3 LYS 35 HB3 LYS 35 19.487 -34.478 26.364 265 HG2 LYS 35 HG2 LYS 35 19.283 -32.238 25.935 266 HG3 LYS 35 HG3 LYS 35 19.463 -32.444 24.191 267 HD2 LYS 35 HD2 LYS 35 17.069 -33.492 25.673 268 HD3 LYS 35 HD3 LYS 35 17.142 -31.831 25.079 269 HE2 LYS 35 HE2 LYS 35 17.628 -32.756 22.807 270 HE3 LYS 35 HE3 LYS 35 17.323 -34.366 23.457 271 HZ1 LYS 35 HZ1 LYS 35 15.185 -34.039 23.055 272 HZ2 LYS 35 HZ2 LYS 35 15.464 -32.448 22.555 273 HZ3 LYS 35 HZ3 LYS 35 15.166 -32.781 24.186 274 H ASN 36 H ASN 36 19.630 -33.777 22.806 275 HA ASN 36 HA ASN 36 20.850 -35.829 21.079 276 HB2 ASN 36 HB2 ASN 36 18.393 -36.178 21.801 277 HB3 ASN 36 HB3 ASN 36 18.030 -34.846 20.709 278 HD21 ASN 36 HD21 ASN 36 17.659 -37.922 20.800 279 HD22 ASN 36 HD22 ASN 36 18.068 -38.401 19.192 280 H ARG 37 H ARG 37 18.724 -32.990 20.684 281 HA ARG 37 HA ARG 37 20.652 -31.424 19.338 282 HB2 ARG 37 HB2 ARG 37 19.825 -31.530 17.065 283 HB3 ARG 37 HB3 ARG 37 20.308 -33.138 17.587 284 HG2 ARG 37 HG2 ARG 37 17.779 -33.369 18.210 285 HG3 ARG 37 HG3 ARG 37 17.589 -32.056 17.046 286 HD2 ARG 37 HD2 ARG 37 18.801 -34.773 16.567 287 HD3 ARG 37 HD3 ARG 37 17.301 -34.136 15.893 288 HE ARG 37 HE ARG 37 19.330 -32.417 15.111 289 HH11 ARG 37 HH11 ARG 37 18.452 -35.754 14.653 290 HH12 ARG 37 HH12 ARG 37 19.187 -35.869 13.088 291 HH21 ARG 37 HH21 ARG 37 20.302 -32.555 13.052 292 HH22 ARG 37 HH22 ARG 37 20.239 -34.048 12.179 293 H LEU 38 H LEU 38 19.359 -29.666 17.935 294 HA LEU 38 HA LEU 38 16.780 -29.032 19.106 295 HB2 LEU 38 HB2 LEU 38 19.298 -27.604 19.749 296 HB3 LEU 38 HB3 LEU 38 17.856 -26.626 19.486 297 HG LEU 38 HG LEU 38 16.834 -28.334 21.242 298 HD11 LEU 38 HD11 LEU 38 18.276 -29.578 22.380 299 HD12 LEU 38 HD12 LEU 38 19.298 -28.181 22.715 300 HD13 LEU 38 HD13 LEU 38 19.522 -29.100 21.227 301 HD21 LEU 38 HD21 LEU 38 18.387 -25.816 21.602 302 HD22 LEU 38 HD22 LEU 38 17.804 -26.675 23.028 303 HD23 LEU 38 HD23 LEU 38 16.661 -26.117 21.805 304 H GLU 39 H GLU 39 15.614 -27.459 17.947 305 HA GLU 39 HA GLU 39 16.401 -27.243 15.178 306 HB2 GLU 39 HB2 GLU 39 14.061 -27.736 15.873 307 HB3 GLU 39 HB3 GLU 39 13.958 -26.121 16.559 308 HG2 GLU 39 HG2 GLU 39 14.135 -25.104 14.431 309 HG3 GLU 39 HG3 GLU 39 14.589 -26.627 13.667 Start of MODEL 16 1 H1 MET 1 H MET 1 0.558 -0.032 -1.238 2 HA MET 1 HA MET 1 2.090 -0.287 -3.040 3 HB2 MET 1 HB2 MET 1 2.487 2.022 -3.841 4 HB3 MET 1 HB3 MET 1 0.835 1.768 -3.294 5 HG2 MET 1 HG2 MET 1 1.288 2.910 -1.229 6 HG3 MET 1 HG3 MET 1 2.995 3.053 -1.642 7 HE1 MET 1 HE1 MET 1 -0.561 3.901 -3.364 8 HE2 MET 1 HE2 MET 1 -0.427 4.520 -1.718 9 HE3 MET 1 HE3 MET 1 -0.471 5.640 -3.081 10 H ILE 2 H ILE 2 3.534 -0.933 -0.680 11 HA ILE 2 HA ILE 2 5.832 0.506 -0.176 12 HB ILE 2 HB ILE 2 5.084 -1.558 1.039 13 HG12 ILE 2 HG12 ILE 2 7.380 -2.330 1.540 14 HG13 ILE 2 HG13 ILE 2 7.964 -1.487 0.110 15 HG21 ILE 2 HG21 ILE 2 6.474 -3.005 -1.211 16 HG22 ILE 2 HG22 ILE 2 5.743 -3.728 0.221 17 HG23 ILE 2 HG23 ILE 2 4.727 -2.937 -0.984 18 HD11 ILE 2 HD11 ILE 2 8.223 0.355 1.296 19 HD12 ILE 2 HD12 ILE 2 6.505 0.357 1.699 20 HD13 ILE 2 HD13 ILE 2 7.653 -0.496 2.732 21 H SER 3 H SER 3 7.963 0.416 -0.955 22 HA SER 3 HA SER 3 8.143 0.021 -3.810 23 HB2 SER 3 HB2 SER 3 10.376 0.822 -1.939 24 HB3 SER 3 HB3 SER 3 10.261 1.120 -3.673 25 HG SER 3 HG SER 3 9.070 2.813 -3.294 26 H ASP 4 H ASP 4 9.306 -1.507 -4.885 27 HA ASP 4 HA ASP 4 9.651 -4.026 -3.799 28 HB2 ASP 4 HB2 ASP 4 10.793 -2.679 -6.227 29 HB3 ASP 4 HB3 ASP 4 11.299 -4.312 -5.801 30 H GLU 5 H GLU 5 11.943 -1.363 -4.014 31 HA GLU 5 HA GLU 5 14.253 -2.771 -3.252 32 HB2 GLU 5 HB2 GLU 5 13.437 0.111 -3.155 33 HB3 GLU 5 HB3 GLU 5 14.936 -0.398 -2.391 34 HG2 GLU 5 HG2 GLU 5 15.884 -1.060 -4.421 35 HG3 GLU 5 HG3 GLU 5 14.325 -1.075 -5.244 36 H GLN 6 H GLN 6 12.078 -0.747 -1.279 37 HA GLN 6 HA GLN 6 13.298 -1.305 1.184 38 HB2 GLN 6 HB2 GLN 6 10.469 -0.480 0.523 39 HB3 GLN 6 HB3 GLN 6 11.100 -0.567 2.163 40 HG2 GLN 6 HG2 GLN 6 12.349 1.127 0.020 41 HG3 GLN 6 HG3 GLN 6 11.078 1.711 1.093 42 HE21 GLN 6 HE21 GLN 6 11.549 2.175 3.200 43 HE22 GLN 6 HE22 GLN 6 13.157 2.191 3.833 44 H LEU 7 H LEU 7 10.630 -2.892 -0.511 45 HA LEU 7 HA LEU 7 9.898 -4.677 1.527 46 HB2 LEU 7 HB2 LEU 7 8.458 -4.320 -0.353 47 HB3 LEU 7 HB3 LEU 7 9.695 -4.893 -1.470 48 HG LEU 7 HG LEU 7 9.463 -7.143 -0.239 49 HD11 LEU 7 HD11 LEU 7 6.994 -5.699 0.687 50 HD12 LEU 7 HD12 LEU 7 8.204 -6.532 1.663 51 HD13 LEU 7 HD13 LEU 7 7.115 -7.458 0.630 52 HD21 LEU 7 HD21 LEU 7 8.254 -7.814 -2.001 53 HD22 LEU 7 HD22 LEU 7 8.363 -6.131 -2.518 54 HD23 LEU 7 HD23 LEU 7 6.936 -6.696 -1.648 55 H ASN 8 H ASN 8 12.066 -5.154 -1.260 56 HA ASN 8 HA ASN 8 12.826 -7.776 -0.666 57 HB2 ASN 8 HB2 ASN 8 13.262 -6.505 -2.812 58 HB3 ASN 8 HB3 ASN 8 14.597 -5.712 -1.981 59 HD21 ASN 8 HD21 ASN 8 16.227 -6.545 -3.185 60 HD22 ASN 8 HD22 ASN 8 16.640 -8.222 -3.215 61 H SER 9 H SER 9 14.427 -4.710 0.172 62 HA SER 9 HA SER 9 16.587 -5.795 1.569 63 HB2 SER 9 HB2 SER 9 15.177 -3.158 2.049 64 HB3 SER 9 HB3 SER 9 16.787 -3.579 2.632 65 HG SER 9 HG SER 9 17.387 -3.841 0.403 66 H LEU 10 H LEU 10 13.369 -4.845 2.706 67 HA LEU 10 HA LEU 10 13.825 -5.350 5.443 68 HB2 LEU 10 HB2 LEU 10 11.897 -4.093 4.272 69 HB3 LEU 10 HB3 LEU 10 11.154 -5.684 4.128 70 HG LEU 10 HG LEU 10 11.469 -5.815 6.687 71 HD11 LEU 10 HD11 LEU 10 12.238 -4.050 7.790 72 HD12 LEU 10 HD12 LEU 10 11.116 -2.970 6.965 73 HD13 LEU 10 HD13 LEU 10 12.676 -3.344 6.235 74 HD21 LEU 10 HD21 LEU 10 9.481 -3.873 5.515 75 HD22 LEU 10 HD22 LEU 10 9.327 -4.737 7.044 76 HD23 LEU 10 HD23 LEU 10 9.311 -5.628 5.521 77 H ALA 11 H ALA 11 12.791 -7.399 2.783 78 HA ALA 11 HA ALA 11 11.990 -9.626 4.330 79 HB1 ALA 11 HB1 ALA 11 12.855 -10.671 1.926 80 HB2 ALA 11 HB2 ALA 11 11.227 -10.098 2.290 81 HB3 ALA 11 HB3 ALA 11 12.390 -9.019 1.519 82 H ILE 12 H ILE 12 15.014 -9.006 2.542 83 HA ILE 12 HA ILE 12 16.359 -11.313 3.405 84 HB ILE 12 HB ILE 12 17.167 -10.044 1.507 85 HG12 ILE 12 HG12 ILE 12 19.570 -9.929 2.094 86 HG13 ILE 12 HG13 ILE 12 19.144 -10.034 3.799 87 HG21 ILE 12 HG21 ILE 12 17.902 -7.873 3.465 88 HG22 ILE 12 HG22 ILE 12 18.187 -7.864 1.725 89 HG23 ILE 12 HG23 ILE 12 16.538 -7.811 2.349 90 HD11 ILE 12 HD11 ILE 12 18.018 -12.187 2.195 91 HD12 ILE 12 HD12 ILE 12 19.782 -12.136 2.180 92 HD13 ILE 12 HD13 ILE 12 18.915 -12.245 3.712 93 H THR 13 H THR 13 16.116 -8.085 4.797 94 HA THR 13 HA THR 13 18.088 -8.381 6.786 95 HB THR 13 HB THR 13 15.611 -6.646 6.797 96 HG1 THR 13 HG1 THR 13 18.279 -6.276 5.905 97 HG21 THR 13 HG21 THR 13 17.607 -5.438 8.316 98 HG22 THR 13 HG22 THR 13 17.629 -7.128 8.818 99 HG23 THR 13 HG23 THR 13 16.135 -6.196 8.921 100 H PHE 14 H PHE 14 14.549 -8.764 6.971 101 HA PHE 14 HA PHE 14 14.465 -9.588 9.652 102 HB2 PHE 14 HB2 PHE 14 12.542 -8.858 8.074 103 HB3 PHE 14 HB3 PHE 14 12.494 -10.553 7.598 104 HD1 PHE 14 HD1 PHE 14 11.249 -12.066 8.829 105 HD2 PHE 14 HD2 PHE 14 12.357 -8.354 10.593 106 HE1 PHE 14 HE1 PHE 14 9.835 -12.574 10.778 107 HE2 PHE 14 HE2 PHE 14 10.946 -8.856 12.545 108 HZ PHE 14 HZ PHE 14 9.681 -10.967 12.639 109 H GLY 15 H GLY 15 14.881 -11.395 6.655 110 HA2 GLY 15 HA2 GLY 15 14.593 -13.985 7.733 111 HA3 GLY 15 HA3 GLY 15 15.456 -13.581 6.256 112 H ILE 16 H ILE 16 17.563 -12.147 7.011 113 HA ILE 16 HA ILE 16 19.344 -14.050 8.047 114 HB ILE 16 HB ILE 16 19.707 -11.058 7.853 115 HG12 ILE 16 HG12 ILE 16 20.708 -13.174 5.950 116 HG13 ILE 16 HG13 ILE 16 19.158 -12.369 5.731 117 HG21 ILE 16 HG21 ILE 16 21.371 -13.105 8.973 118 HG22 ILE 16 HG22 ILE 16 22.155 -12.397 7.562 119 HG23 ILE 16 HG23 ILE 16 21.642 -11.364 8.896 120 HD11 ILE 16 HD11 ILE 16 21.848 -11.022 5.813 121 HD12 ILE 16 HD12 ILE 16 20.887 -11.347 4.370 122 HD13 ILE 16 HD13 ILE 16 20.295 -10.218 5.589 123 H VAL 17 H VAL 17 18.154 -11.037 9.543 124 HA VAL 17 HA VAL 17 19.366 -11.280 12.012 125 HB VAL 17 HB VAL 17 16.622 -10.154 11.434 126 HG11 VAL 17 HG11 VAL 17 17.597 -8.721 13.520 127 HG12 VAL 17 HG12 VAL 17 16.499 -10.093 13.679 128 HG13 VAL 17 HG13 VAL 17 18.236 -10.324 13.882 129 HG21 VAL 17 HG21 VAL 17 19.147 -8.573 11.759 130 HG22 VAL 17 HG22 VAL 17 18.699 -9.255 10.195 131 HG23 VAL 17 HG23 VAL 17 17.630 -8.102 10.993 132 H MET 18 H MET 18 16.165 -12.498 11.038 133 HA MET 18 HA MET 18 15.454 -13.651 13.479 134 HB2 MET 18 HB2 MET 18 14.675 -14.207 10.634 135 HB3 MET 18 HB3 MET 18 14.070 -15.221 11.936 136 HG2 MET 18 HG2 MET 18 13.774 -12.243 12.010 137 HG3 MET 18 HG3 MET 18 12.627 -13.266 11.150 138 HE1 MET 18 HE1 MET 18 11.359 -15.153 12.139 139 HE2 MET 18 HE2 MET 18 10.608 -15.019 13.729 140 HE3 MET 18 HE3 MET 18 10.320 -13.776 12.510 141 H MET 19 H MET 19 17.169 -15.053 10.705 142 HA MET 19 HA MET 19 17.390 -17.667 11.644 143 HB2 MET 19 HB2 MET 19 17.960 -16.932 9.345 144 HB3 MET 19 HB3 MET 19 19.405 -16.152 9.975 145 HG2 MET 19 HG2 MET 19 20.156 -18.382 10.799 146 HG3 MET 19 HG3 MET 19 18.783 -19.093 9.955 147 HE1 MET 19 HE1 MET 19 22.803 -18.020 8.651 148 HE2 MET 19 HE2 MET 19 21.954 -16.485 8.469 149 HE3 MET 19 HE3 MET 19 21.926 -17.330 10.017 150 H THR 20 H THR 20 19.513 -14.877 12.161 151 HA THR 20 HA THR 20 21.505 -16.247 13.615 152 HB THR 20 HB THR 20 21.459 -13.620 14.597 153 HG1 THR 20 HG1 THR 20 20.999 -12.362 12.840 154 HG21 THR 20 HG21 THR 20 22.963 -14.350 12.118 155 HG22 THR 20 HG22 THR 20 23.318 -15.186 13.630 156 HG23 THR 20 HG23 THR 20 23.499 -13.435 13.527 157 H LEU 21 H LEU 21 18.778 -14.242 14.732 158 HA LEU 21 HA LEU 21 19.167 -14.473 17.459 159 HB2 LEU 21 HB2 LEU 21 16.569 -14.358 15.936 160 HB3 LEU 21 HB3 LEU 21 16.728 -14.097 17.671 161 HG LEU 21 HG LEU 21 18.280 -12.374 15.790 162 HD11 LEU 21 HD11 LEU 21 16.056 -12.317 14.853 163 HD12 LEU 21 HD12 LEU 21 16.378 -10.808 15.707 164 HD13 LEU 21 HD13 LEU 21 15.357 -12.040 16.449 165 HD21 LEU 21 HD21 LEU 21 18.219 -12.496 18.462 166 HD22 LEU 21 HD22 LEU 21 16.888 -11.369 18.198 167 HD23 LEU 21 HD23 LEU 21 18.496 -10.997 17.574 168 H ILE 22 H ILE 22 16.972 -16.483 15.487 169 HA ILE 22 HA ILE 22 16.289 -18.311 17.465 170 HB ILE 22 HB ILE 22 16.556 -18.839 14.503 171 HG12 ILE 22 HG12 ILE 22 15.066 -16.943 15.058 172 HG13 ILE 22 HG13 ILE 22 14.182 -18.307 14.384 173 HG21 ILE 22 HG21 ILE 22 15.616 -20.468 16.764 174 HG22 ILE 22 HG22 ILE 22 14.554 -20.441 15.357 175 HG23 ILE 22 HG23 ILE 22 16.231 -20.959 15.186 176 HD11 ILE 22 HD11 ILE 22 14.258 -18.550 17.224 177 HD12 ILE 22 HD12 ILE 22 13.693 -16.938 16.783 178 HD13 ILE 22 HD13 ILE 22 12.868 -18.365 16.155 179 H ASP 23 H ASP 23 18.936 -18.458 15.101 180 HA ASP 23 HA ASP 23 19.939 -20.968 15.749 181 HB2 ASP 23 HB2 ASP 23 20.695 -19.686 13.800 182 HB3 ASP 23 HB3 ASP 23 21.476 -18.517 14.862 183 H ILE 24 H ILE 24 20.916 -17.801 17.053 184 HA ILE 24 HA ILE 24 22.838 -18.699 18.852 185 HB ILE 24 HB ILE 24 20.986 -16.333 19.157 186 HG12 ILE 24 HG12 ILE 24 23.824 -16.051 18.324 187 HG13 ILE 24 HG13 ILE 24 22.708 -16.708 17.132 188 HG21 ILE 24 HG21 ILE 24 23.468 -15.839 20.371 189 HG22 ILE 24 HG22 ILE 24 21.903 -16.042 21.157 190 HG23 ILE 24 HG23 ILE 24 22.957 -17.435 20.922 191 HD11 ILE 24 HD11 ILE 24 22.345 -14.570 16.614 192 HD12 ILE 24 HD12 ILE 24 21.327 -14.555 18.054 193 HD13 ILE 24 HD13 ILE 24 22.993 -13.987 18.147 194 H TYR 25 H TYR 25 19.428 -17.913 19.555 195 HA TYR 25 HA TYR 25 19.389 -18.738 22.201 196 HB2 TYR 25 HB2 TYR 25 17.292 -18.507 20.078 197 HB3 TYR 25 HB3 TYR 25 16.876 -19.253 21.617 198 HD1 TYR 25 HD1 TYR 25 18.906 -16.270 20.618 199 HD2 TYR 25 HD2 TYR 25 15.718 -17.806 22.980 200 HE1 TYR 25 HE1 TYR 25 18.568 -14.041 21.600 201 HE2 TYR 25 HE2 TYR 25 15.370 -15.580 23.968 202 HH TYR 25 HH TYR 25 16.299 -13.518 24.234 203 H HIS 26 H HIS 26 18.838 -20.621 19.257 204 HA HIS 26 HA HIS 26 18.114 -23.031 20.535 205 HB2 HIS 26 HB2 HIS 26 19.000 -22.249 17.803 206 HB3 HIS 26 HB3 HIS 26 19.104 -23.954 18.233 207 HD1 HIS 26 HD1 HIS 26 17.200 -24.830 16.842 208 HD2 HIS 26 HD2 HIS 26 16.087 -21.641 19.262 209 HE1 HIS 26 HE1 HIS 26 14.695 -24.691 16.662 210 H ALA 27 H ALA 27 21.203 -21.604 19.713 211 HA ALA 27 HA ALA 27 22.759 -23.951 20.164 212 HB1 ALA 27 HB1 ALA 27 23.220 -21.345 19.205 213 HB2 ALA 27 HB2 ALA 27 24.287 -21.573 20.591 214 HB3 ALA 27 HB3 ALA 27 24.344 -22.704 19.240 215 H VAL 28 H VAL 28 22.217 -21.004 22.096 216 HA VAL 28 HA VAL 28 23.692 -21.769 24.339 217 HB VAL 28 HB VAL 28 22.963 -19.487 24.095 218 HG11 VAL 28 HG11 VAL 28 20.643 -18.811 24.279 219 HG12 VAL 28 HG12 VAL 28 20.832 -19.958 22.951 220 HG13 VAL 28 HG13 VAL 28 20.145 -20.489 24.487 221 HG21 VAL 28 HG21 VAL 28 21.348 -20.174 26.459 222 HG22 VAL 28 HG22 VAL 28 22.979 -20.844 26.432 223 HG23 VAL 28 HG23 VAL 28 22.739 -19.101 26.306 224 H ASP 29 H ASP 29 20.325 -22.392 23.481 225 HA ASP 29 HA ASP 29 19.675 -23.637 25.974 226 HB2 ASP 29 HB2 ASP 29 17.566 -23.566 25.202 227 HB3 ASP 29 HB3 ASP 29 18.219 -22.660 23.840 228 H SER 30 H SER 30 20.745 -24.750 22.815 229 HA SER 30 HA SER 30 20.300 -27.506 23.222 230 HB2 SER 30 HB2 SER 30 20.669 -26.671 20.988 231 HB3 SER 30 HB3 SER 30 22.261 -26.056 21.430 232 HG SER 30 HG SER 30 22.422 -28.051 20.349 233 H THR 31 H THR 31 23.013 -25.392 23.969 234 HA THR 31 HA THR 31 24.673 -27.582 24.873 235 HB THR 31 HB THR 31 25.709 -25.619 23.812 236 HG1 THR 31 HG1 THR 31 27.153 -25.171 25.780 237 HG21 THR 31 HG21 THR 31 24.073 -23.963 24.763 238 HG22 THR 31 HG22 THR 31 25.764 -23.473 24.860 239 HG23 THR 31 HG23 THR 31 24.940 -24.087 26.293 240 H MET 32 H MET 32 22.638 -25.089 26.279 241 HA MET 32 HA MET 32 23.479 -25.499 28.970 242 HB2 MET 32 HB2 MET 32 21.169 -24.098 27.670 243 HB3 MET 32 HB3 MET 32 21.184 -24.338 29.412 244 HG2 MET 32 HG2 MET 32 23.433 -23.017 27.925 245 HG3 MET 32 HG3 MET 32 22.059 -22.132 28.582 246 HE1 MET 32 HE1 MET 32 25.783 -22.325 30.468 247 HE2 MET 32 HE2 MET 32 25.140 -22.028 28.853 248 HE3 MET 32 HE3 MET 32 24.748 -20.927 30.174 249 H SER 33 H SER 33 20.864 -26.773 26.975 250 HA SER 33 HA SER 33 20.452 -28.880 28.969 251 HB2 SER 33 HB2 SER 33 18.675 -27.297 29.419 252 HB3 SER 33 HB3 SER 33 18.253 -27.226 27.708 253 HG SER 33 HG SER 33 17.230 -29.076 27.872 254 HA PRO 34 HA PRO 34 20.873 -30.425 24.587 255 HB2 PRO 34 HB2 PRO 34 22.813 -32.240 25.147 256 HB3 PRO 34 HB3 PRO 34 23.162 -30.557 24.735 257 HG2 PRO 34 HG2 PRO 34 23.044 -31.862 27.426 258 HG3 PRO 34 HG3 PRO 34 24.224 -30.697 26.798 259 HD2 PRO 34 HD2 PRO 34 22.195 -29.975 28.440 260 HD3 PRO 34 HD3 PRO 34 22.840 -28.895 27.186 261 H LYS 35 H LYS 35 20.171 -32.425 23.778 262 HA LYS 35 HA LYS 35 18.421 -33.880 25.516 263 HB2 LYS 35 HB2 LYS 35 17.823 -35.153 23.533 264 HB3 LYS 35 HB3 LYS 35 17.860 -33.435 23.157 265 HG2 LYS 35 HG2 LYS 35 20.143 -33.762 22.215 266 HG3 LYS 35 HG3 LYS 35 19.934 -35.498 22.453 267 HD2 LYS 35 HD2 LYS 35 17.999 -33.829 20.862 268 HD3 LYS 35 HD3 LYS 35 19.411 -34.604 20.137 269 HE2 LYS 35 HE2 LYS 35 18.559 -36.776 21.098 270 HE3 LYS 35 HE3 LYS 35 17.070 -35.921 21.499 271 HZ1 LYS 35 HZ1 LYS 35 16.762 -35.416 19.165 272 HZ2 LYS 35 HZ2 LYS 35 16.904 -37.087 19.383 273 HZ3 LYS 35 HZ3 LYS 35 18.207 -36.201 18.769 274 H ASN 36 H ASN 36 18.445 -36.379 25.311 275 HA ASN 36 HA ASN 36 21.068 -37.250 26.231 276 HB2 ASN 36 HB2 ASN 36 18.840 -37.741 27.427 277 HB3 ASN 36 HB3 ASN 36 18.578 -38.943 26.167 278 HD21 ASN 36 HD21 ASN 36 18.914 -40.856 27.040 279 HD22 ASN 36 HD22 ASN 36 20.275 -41.304 28.006 280 H ARG 37 H ARG 37 22.391 -37.730 24.572 281 HA ARG 37 HA ARG 37 21.494 -39.810 22.706 282 HB2 ARG 37 HB2 ARG 37 22.489 -38.703 20.823 283 HB3 ARG 37 HB3 ARG 37 21.390 -37.572 21.600 284 HG2 ARG 37 HG2 ARG 37 23.651 -36.904 22.860 285 HG3 ARG 37 HG3 ARG 37 24.327 -37.490 21.338 286 HD2 ARG 37 HD2 ARG 37 22.126 -35.899 20.643 287 HD3 ARG 37 HD3 ARG 37 22.980 -35.015 21.907 288 HE ARG 37 HE ARG 37 24.649 -34.595 20.412 289 HH11 ARG 37 HH11 ARG 37 22.785 -37.305 19.270 290 HH12 ARG 37 HH12 ARG 37 23.623 -37.410 17.757 291 HH21 ARG 37 HH21 ARG 37 25.759 -34.724 18.423 292 HH22 ARG 37 HH22 ARG 37 25.315 -35.942 17.277 293 H LEU 38 H LEU 38 23.084 -41.245 22.024 294 HA LEU 38 HA LEU 38 25.612 -41.083 23.525 295 HB2 LEU 38 HB2 LEU 38 24.041 -43.458 22.549 296 HB3 LEU 38 HB3 LEU 38 25.682 -43.573 23.184 297 HG LEU 38 HG LEU 38 23.359 -42.493 24.771 298 HD11 LEU 38 HD11 LEU 38 23.708 -45.129 23.945 299 HD12 LEU 38 HD12 LEU 38 22.676 -44.549 25.253 300 HD13 LEU 38 HD13 LEU 38 24.322 -45.081 25.598 301 HD21 LEU 38 HD21 LEU 38 25.282 -41.732 25.800 302 HD22 LEU 38 HD22 LEU 38 26.217 -43.158 25.346 303 HD23 LEU 38 HD23 LEU 38 25.006 -43.267 26.625 304 H GLU 39 H GLU 39 24.357 -42.583 20.537 305 HA GLU 39 HA GLU 39 26.958 -42.055 19.277 306 HB2 GLU 39 HB2 GLU 39 24.778 -43.865 18.241 307 HB3 GLU 39 HB3 GLU 39 26.456 -43.798 17.720 308 HG2 GLU 39 HG2 GLU 39 26.961 -44.440 20.191 309 HG3 GLU 39 HG3 GLU 39 25.286 -44.989 20.189 Start of MODEL 17 1 H1 MET 1 H MET 1 1.741 -2.847 0.069 2 HA MET 1 HA MET 1 2.295 -2.714 -2.820 3 HB2 MET 1 HB2 MET 1 1.423 -0.430 -2.862 4 HB3 MET 1 HB3 MET 1 0.184 -1.565 -2.343 5 HG2 MET 1 HG2 MET 1 0.130 -0.755 -0.212 6 HG3 MET 1 HG3 MET 1 1.803 -0.203 -0.262 7 HE1 MET 1 HE1 MET 1 -2.011 1.830 -0.903 8 HE2 MET 1 HE2 MET 1 -1.469 0.465 0.075 9 HE3 MET 1 HE3 MET 1 -1.107 2.115 0.585 10 H ILE 2 H ILE 2 4.263 -3.314 -0.997 11 HA ILE 2 HA ILE 2 5.675 -0.846 -0.367 12 HB ILE 2 HB ILE 2 6.624 -3.673 0.090 13 HG12 ILE 2 HG12 ILE 2 4.454 -3.303 1.201 14 HG13 ILE 2 HG13 ILE 2 5.762 -3.461 2.369 15 HG21 ILE 2 HG21 ILE 2 7.495 -0.975 1.065 16 HG22 ILE 2 HG22 ILE 2 7.888 -2.447 1.952 17 HG23 ILE 2 HG23 ILE 2 8.454 -2.238 0.295 18 HD11 ILE 2 HD11 ILE 2 5.778 -1.115 2.770 19 HD12 ILE 2 HD12 ILE 2 4.656 -0.826 1.440 20 HD13 ILE 2 HD13 ILE 2 4.111 -1.677 2.885 21 H SER 3 H SER 3 7.556 -0.175 -1.315 22 HA SER 3 HA SER 3 8.013 -0.743 -3.996 23 HB2 SER 3 HB2 SER 3 8.810 1.314 -2.962 24 HB3 SER 3 HB3 SER 3 9.929 0.401 -1.949 25 HG SER 3 HG SER 3 10.244 1.268 -4.483 26 H ASP 4 H ASP 4 9.696 -1.853 -5.075 27 HA ASP 4 HA ASP 4 10.228 -4.434 -4.109 28 HB2 ASP 4 HB2 ASP 4 11.183 -2.810 -6.426 29 HB3 ASP 4 HB3 ASP 4 12.045 -4.294 -6.030 30 H GLU 5 H GLU 5 12.118 -1.469 -4.041 31 HA GLU 5 HA GLU 5 14.549 -2.644 -3.182 32 HB2 GLU 5 HB2 GLU 5 13.667 0.177 -2.588 33 HB3 GLU 5 HB3 GLU 5 15.308 -0.427 -2.772 34 HG2 GLU 5 HG2 GLU 5 13.243 0.036 -4.893 35 HG3 GLU 5 HG3 GLU 5 14.845 0.755 -4.739 36 H GLN 6 H GLN 6 12.048 -0.854 -1.378 37 HA GLN 6 HA GLN 6 13.170 -1.273 1.165 38 HB2 GLN 6 HB2 GLN 6 10.384 -0.612 0.239 39 HB3 GLN 6 HB3 GLN 6 10.763 -0.817 1.944 40 HG2 GLN 6 HG2 GLN 6 12.056 1.176 0.096 41 HG3 GLN 6 HG3 GLN 6 10.783 1.530 1.262 42 HE21 GLN 6 HE21 GLN 6 11.567 0.144 3.449 43 HE22 GLN 6 HE22 GLN 6 13.073 0.752 4.037 44 H LEU 7 H LEU 7 10.765 -3.101 -0.674 45 HA LEU 7 HA LEU 7 10.084 -4.937 1.341 46 HB2 LEU 7 HB2 LEU 7 8.737 -4.669 -0.646 47 HB3 LEU 7 HB3 LEU 7 10.067 -5.229 -1.659 48 HG LEU 7 HG LEU 7 9.844 -7.425 -0.282 49 HD11 LEU 7 HD11 LEU 7 7.268 -7.676 0.159 50 HD12 LEU 7 HD12 LEU 7 7.362 -5.933 0.409 51 HD13 LEU 7 HD13 LEU 7 8.341 -7.019 1.396 52 HD21 LEU 7 HD21 LEU 7 7.490 -7.268 -1.988 53 HD22 LEU 7 HD22 LEU 7 8.949 -8.245 -2.155 54 HD23 LEU 7 HD23 LEU 7 8.932 -6.580 -2.736 55 H ASN 8 H ASN 8 12.391 -5.256 -1.358 56 HA ASN 8 HA ASN 8 13.353 -7.790 -0.733 57 HB2 ASN 8 HB2 ASN 8 13.855 -6.669 -2.850 58 HB3 ASN 8 HB3 ASN 8 14.836 -5.477 -2.002 59 HD21 ASN 8 HD21 ASN 8 16.395 -6.295 -3.643 60 HD22 ASN 8 HD22 ASN 8 17.375 -7.649 -3.203 61 H SER 9 H SER 9 14.641 -4.619 0.242 62 HA SER 9 HA SER 9 16.806 -5.510 1.738 63 HB2 SER 9 HB2 SER 9 16.258 -3.119 1.097 64 HB3 SER 9 HB3 SER 9 15.125 -3.101 2.448 65 HG SER 9 HG SER 9 17.243 -2.289 2.965 66 H LEU 10 H LEU 10 13.477 -4.862 2.797 67 HA LEU 10 HA LEU 10 13.858 -5.498 5.506 68 HB2 LEU 10 HB2 LEU 10 11.536 -5.238 3.685 69 HB3 LEU 10 HB3 LEU 10 11.279 -6.110 5.194 70 HG LEU 10 HG LEU 10 12.411 -3.322 5.096 71 HD11 LEU 10 HD11 LEU 10 9.999 -3.772 4.116 72 HD12 LEU 10 HD12 LEU 10 10.337 -2.381 5.145 73 HD13 LEU 10 HD13 LEU 10 9.576 -3.818 5.827 74 HD21 LEU 10 HD21 LEU 10 12.639 -4.905 7.123 75 HD22 LEU 10 HD22 LEU 10 10.914 -4.612 7.346 76 HD23 LEU 10 HD23 LEU 10 12.050 -3.264 7.388 77 H ALA 11 H ALA 11 13.152 -7.486 2.703 78 HA ALA 11 HA ALA 11 12.448 -9.851 4.071 79 HB1 ALA 11 HB1 ALA 11 13.120 -10.964 1.895 80 HB2 ALA 11 HB2 ALA 11 11.872 -9.721 1.789 81 HB3 ALA 11 HB3 ALA 11 13.529 -9.351 1.311 82 H ILE 12 H ILE 12 15.542 -8.889 2.576 83 HA ILE 12 HA ILE 12 16.998 -11.120 3.489 84 HB ILE 12 HB ILE 12 17.846 -9.783 1.666 85 HG12 ILE 12 HG12 ILE 12 19.368 -10.849 3.598 86 HG13 ILE 12 HG13 ILE 12 20.053 -10.026 2.201 87 HG21 ILE 12 HG21 ILE 12 18.005 -7.566 3.698 88 HG22 ILE 12 HG22 ILE 12 18.785 -7.512 2.118 89 HG23 ILE 12 HG23 ILE 12 17.028 -7.612 2.231 90 HD11 ILE 12 HD11 ILE 12 19.443 -8.517 4.706 91 HD12 ILE 12 HD12 ILE 12 20.931 -9.451 4.546 92 HD13 ILE 12 HD13 ILE 12 20.589 -8.136 3.422 93 H THR 13 H THR 13 16.257 -8.023 4.944 94 HA THR 13 HA THR 13 18.157 -8.110 7.034 95 HB THR 13 HB THR 13 15.477 -6.712 6.939 96 HG1 THR 13 HG1 THR 13 16.521 -5.408 5.652 97 HG21 THR 13 HG21 THR 13 17.695 -6.707 8.934 98 HG22 THR 13 HG22 THR 13 15.951 -6.632 9.189 99 HG23 THR 13 HG23 THR 13 16.823 -5.206 8.627 100 H PHE 14 H PHE 14 14.691 -8.945 6.996 101 HA PHE 14 HA PHE 14 14.603 -9.886 9.651 102 HB2 PHE 14 HB2 PHE 14 12.842 -10.128 7.254 103 HB3 PHE 14 HB3 PHE 14 12.551 -11.211 8.612 104 HD1 PHE 14 HD1 PHE 14 12.804 -9.775 10.972 105 HD2 PHE 14 HD2 PHE 14 11.422 -8.341 7.211 106 HE1 PHE 14 HE1 PHE 14 11.539 -8.002 12.117 107 HE2 PHE 14 HE2 PHE 14 10.156 -6.565 8.349 108 HZ PHE 14 HZ PHE 14 10.214 -6.393 10.805 109 H GLY 15 H GLY 15 15.298 -11.473 6.584 110 HA2 GLY 15 HA2 GLY 15 15.223 -14.136 7.500 111 HA3 GLY 15 HA3 GLY 15 16.107 -13.564 6.094 112 H ILE 16 H ILE 16 18.018 -11.969 7.057 113 HA ILE 16 HA ILE 16 19.919 -13.771 8.092 114 HB ILE 16 HB ILE 16 20.006 -10.756 7.945 115 HG12 ILE 16 HG12 ILE 16 19.785 -11.944 5.775 116 HG13 ILE 16 HG13 ILE 16 21.321 -11.098 5.933 117 HG21 ILE 16 HG21 ILE 16 22.494 -11.115 8.092 118 HG22 ILE 16 HG22 ILE 16 21.595 -11.400 9.581 119 HG23 ILE 16 HG23 ILE 16 22.145 -12.764 8.609 120 HD11 ILE 16 HD11 ILE 16 22.469 -12.972 5.660 121 HD12 ILE 16 HD12 ILE 16 21.504 -13.825 6.866 122 HD13 ILE 16 HD13 ILE 16 20.947 -13.732 5.195 123 H VAL 17 H VAL 17 18.415 -10.917 9.617 124 HA VAL 17 HA VAL 17 19.529 -11.131 12.131 125 HB VAL 17 HB VAL 17 16.735 -10.227 11.421 126 HG11 VAL 17 HG11 VAL 17 17.638 -8.880 13.699 127 HG12 VAL 17 HG12 VAL 17 16.353 -10.087 13.607 128 HG13 VAL 17 HG13 VAL 17 18.005 -10.581 13.978 129 HG21 VAL 17 HG21 VAL 17 17.606 -8.269 10.783 130 HG22 VAL 17 HG22 VAL 17 18.728 -8.223 12.144 131 HG23 VAL 17 HG23 VAL 17 19.143 -9.129 10.688 132 H MET 18 H MET 18 16.448 -12.549 11.032 133 HA MET 18 HA MET 18 15.789 -13.867 13.397 134 HB2 MET 18 HB2 MET 18 14.318 -13.543 11.373 135 HB3 MET 18 HB3 MET 18 15.182 -14.874 10.615 136 HG2 MET 18 HG2 MET 18 14.125 -16.433 11.837 137 HG3 MET 18 HG3 MET 18 14.106 -15.435 13.289 138 HE1 MET 18 HE1 MET 18 11.400 -15.259 9.696 139 HE2 MET 18 HE2 MET 18 12.847 -16.229 9.970 140 HE3 MET 18 HE3 MET 18 11.285 -16.787 10.569 141 H MET 19 H MET 19 17.597 -15.066 10.578 142 HA MET 19 HA MET 19 18.021 -17.673 11.397 143 HB2 MET 19 HB2 MET 19 18.632 -16.752 9.173 144 HB3 MET 19 HB3 MET 19 19.991 -15.921 9.917 145 HG2 MET 19 HG2 MET 19 19.814 -18.832 10.369 146 HG3 MET 19 HG3 MET 19 20.193 -18.302 8.732 147 HE1 MET 19 HE1 MET 19 23.381 -19.401 11.196 148 HE2 MET 19 HE2 MET 19 21.687 -19.875 11.320 149 HE3 MET 19 HE3 MET 19 22.530 -20.011 9.777 150 H THR 20 H THR 20 19.930 -14.780 12.151 151 HA THR 20 HA THR 20 21.948 -16.086 13.621 152 HB THR 20 HB THR 20 21.678 -13.540 14.754 153 HG1 THR 20 HG1 THR 20 21.056 -12.216 13.152 154 HG21 THR 20 HG21 THR 20 23.745 -13.182 13.832 155 HG22 THR 20 HG22 THR 20 23.303 -13.910 12.288 156 HG23 THR 20 HG23 THR 20 23.653 -14.936 13.679 157 H LEU 21 H LEU 21 18.991 -14.421 14.696 158 HA LEU 21 HA LEU 21 19.275 -14.726 17.426 159 HB2 LEU 21 HB2 LEU 21 16.757 -14.844 15.774 160 HB3 LEU 21 HB3 LEU 21 16.799 -14.652 17.525 161 HG LEU 21 HG LEU 21 18.198 -12.673 15.770 162 HD11 LEU 21 HD11 LEU 21 15.526 -13.233 15.414 163 HD12 LEU 21 HD12 LEU 21 16.335 -11.721 15.005 164 HD13 LEU 21 HD13 LEU 21 15.512 -11.889 16.555 165 HD21 LEU 21 HD21 LEU 21 18.511 -12.678 18.232 166 HD22 LEU 21 HD22 LEU 21 16.780 -12.394 18.417 167 HD23 LEU 21 HD23 LEU 21 17.791 -11.190 17.617 168 H ILE 22 H ILE 22 17.798 -16.981 15.112 169 HA ILE 22 HA ILE 22 17.104 -18.945 17.023 170 HB ILE 22 HB ILE 22 17.636 -19.274 14.068 171 HG12 ILE 22 HG12 ILE 22 14.886 -19.314 15.155 172 HG13 ILE 22 HG13 ILE 22 15.697 -17.752 15.196 173 HG21 ILE 22 HG21 ILE 22 16.524 -21.115 16.149 174 HG22 ILE 22 HG22 ILE 22 16.032 -21.261 14.462 175 HG23 ILE 22 HG23 ILE 22 17.730 -21.437 14.903 176 HD11 ILE 22 HD11 ILE 22 15.365 -17.452 13.030 177 HD12 ILE 22 HD12 ILE 22 16.050 -19.030 12.641 178 HD13 ILE 22 HD13 ILE 22 14.343 -18.888 13.058 179 H ASP 23 H ASP 23 19.948 -18.505 14.963 180 HA ASP 23 HA ASP 23 21.239 -20.918 15.546 181 HB2 ASP 23 HB2 ASP 23 21.979 -19.492 13.724 182 HB3 ASP 23 HB3 ASP 23 22.413 -18.216 14.858 183 H ILE 24 H ILE 24 21.642 -17.719 17.062 184 HA ILE 24 HA ILE 24 23.500 -18.518 19.007 185 HB ILE 24 HB ILE 24 21.475 -16.282 19.167 186 HG12 ILE 24 HG12 ILE 24 22.976 -16.150 17.204 187 HG13 ILE 24 HG13 ILE 24 23.271 -14.851 18.354 188 HG21 ILE 24 HG21 ILE 24 23.703 -17.135 20.923 189 HG22 ILE 24 HG22 ILE 24 23.503 -15.405 20.651 190 HG23 ILE 24 HG23 ILE 24 22.176 -16.349 21.327 191 HD11 ILE 24 HD11 ILE 24 25.134 -16.606 17.257 192 HD12 ILE 24 HD12 ILE 24 25.391 -15.444 18.560 193 HD13 ILE 24 HD13 ILE 24 24.946 -17.108 18.937 194 H TYR 25 H TYR 25 19.973 -18.077 19.283 195 HA TYR 25 HA TYR 25 19.711 -18.890 21.935 196 HB2 TYR 25 HB2 TYR 25 17.937 -17.796 20.542 197 HB3 TYR 25 HB3 TYR 25 17.685 -19.339 19.735 198 HD1 TYR 25 HD1 TYR 25 17.428 -17.585 22.980 199 HD2 TYR 25 HD2 TYR 25 16.392 -21.055 20.747 200 HE1 TYR 25 HE1 TYR 25 15.844 -18.240 24.744 201 HE2 TYR 25 HE2 TYR 25 14.805 -21.719 22.504 202 HH TYR 25 HH TYR 25 14.782 -20.972 25.339 203 H HIS 26 H HIS 26 19.781 -20.781 18.961 204 HA HIS 26 HA HIS 26 19.079 -23.261 20.136 205 HB2 HIS 26 HB2 HIS 26 20.305 -22.408 17.548 206 HB3 HIS 26 HB3 HIS 26 20.386 -24.109 17.999 207 HD1 HIS 26 HD1 HIS 26 18.837 -24.364 15.799 208 HD2 HIS 26 HD2 HIS 26 17.089 -22.545 19.100 209 HE1 HIS 26 HE1 HIS 26 16.358 -24.459 15.386 210 H ALA 27 H ALA 27 22.164 -21.659 19.526 211 HA ALA 27 HA ALA 27 23.824 -23.828 20.248 212 HB1 ALA 27 HB1 ALA 27 25.377 -21.693 20.802 213 HB2 ALA 27 HB2 ALA 27 25.111 -22.322 19.175 214 HB3 ALA 27 HB3 ALA 27 24.171 -20.947 19.753 215 H VAL 28 H VAL 28 22.788 -20.961 22.097 216 HA VAL 28 HA VAL 28 24.028 -21.717 24.514 217 HB VAL 28 HB VAL 28 23.328 -19.419 24.117 218 HG11 VAL 28 HG11 VAL 28 20.473 -20.290 24.476 219 HG12 VAL 28 HG12 VAL 28 21.085 -18.719 23.954 220 HG13 VAL 28 HG13 VAL 28 21.216 -20.117 22.886 221 HG21 VAL 28 HG21 VAL 28 22.708 -18.931 26.289 222 HG22 VAL 28 HG22 VAL 28 21.631 -20.323 26.407 223 HG23 VAL 28 HG23 VAL 28 23.379 -20.553 26.459 224 H ASP 29 H ASP 29 20.852 -22.382 23.159 225 HA ASP 29 HA ASP 29 19.744 -23.513 25.524 226 HB2 ASP 29 HB2 ASP 29 18.392 -22.633 23.621 227 HB3 ASP 29 HB3 ASP 29 18.922 -24.008 22.656 228 H SER 30 H SER 30 21.527 -24.803 22.784 229 HA SER 30 HA SER 30 21.101 -27.546 23.414 230 HB2 SER 30 HB2 SER 30 23.011 -26.071 21.624 231 HB3 SER 30 HB3 SER 30 23.206 -27.801 21.904 232 HG SER 30 HG SER 30 21.884 -27.226 20.054 233 H THR 31 H THR 31 23.743 -25.269 24.048 234 HA THR 31 HA THR 31 25.385 -27.163 25.399 235 HB THR 31 HB THR 31 26.351 -25.152 24.392 236 HG1 THR 31 HG1 THR 31 27.157 -26.199 26.474 237 HG21 THR 31 HG21 THR 31 25.964 -22.964 25.197 238 HG22 THR 31 HG22 THR 31 25.102 -23.555 26.618 239 HG23 THR 31 HG23 THR 31 24.367 -23.689 25.020 240 H MET 32 H MET 32 22.930 -24.863 26.416 241 HA MET 32 HA MET 32 23.452 -25.191 29.218 242 HB2 MET 32 HB2 MET 32 22.425 -23.143 28.184 243 HB3 MET 32 HB3 MET 32 20.964 -24.083 27.913 244 HG2 MET 32 HG2 MET 32 20.717 -24.427 30.303 245 HG3 MET 32 HG3 MET 32 22.210 -23.537 30.596 246 HE1 MET 32 HE1 MET 32 19.338 -21.171 31.923 247 HE2 MET 32 HE2 MET 32 19.186 -22.927 31.863 248 HE3 MET 32 HE3 MET 32 20.707 -22.190 32.368 249 H SER 33 H SER 33 21.159 -26.518 26.890 250 HA SER 33 HA SER 33 20.457 -28.576 28.865 251 HB2 SER 33 HB2 SER 33 18.611 -26.953 28.793 252 HB3 SER 33 HB3 SER 33 18.491 -27.161 27.046 253 HG SER 33 HG SER 33 17.938 -29.051 29.079 254 HA PRO 34 HA PRO 34 21.797 -30.329 24.752 255 HB2 PRO 34 HB2 PRO 34 23.630 -32.039 25.795 256 HB3 PRO 34 HB3 PRO 34 24.012 -30.367 25.364 257 HG2 PRO 34 HG2 PRO 34 23.385 -31.536 28.048 258 HG3 PRO 34 HG3 PRO 34 24.638 -30.361 27.604 259 HD2 PRO 34 HD2 PRO 34 22.301 -29.631 28.760 260 HD3 PRO 34 HD3 PRO 34 23.158 -28.595 27.601 261 H LYS 35 H LYS 35 19.694 -31.282 24.691 262 HA LYS 35 HA LYS 35 19.410 -33.835 26.113 263 HB2 LYS 35 HB2 LYS 35 17.623 -31.928 26.113 264 HB3 LYS 35 HB3 LYS 35 17.218 -32.551 24.519 265 HG2 LYS 35 HG2 LYS 35 16.656 -34.689 25.419 266 HG3 LYS 35 HG3 LYS 35 17.273 -34.238 27.010 267 HD2 LYS 35 HD2 LYS 35 14.976 -33.979 27.248 268 HD3 LYS 35 HD3 LYS 35 15.523 -32.339 26.894 269 HE2 LYS 35 HE2 LYS 35 13.677 -32.601 25.505 270 HE3 LYS 35 HE3 LYS 35 15.038 -32.942 24.437 271 HZ1 LYS 35 HZ1 LYS 35 13.550 -34.648 24.008 272 HZ2 LYS 35 HZ2 LYS 35 13.114 -34.834 25.632 273 HZ3 LYS 35 HZ3 LYS 35 14.628 -35.365 25.097 274 H ASN 36 H ASN 36 21.161 -34.392 24.370 275 HA ASN 36 HA ASN 36 19.730 -35.555 22.075 276 HB2 ASN 36 HB2 ASN 36 22.451 -34.247 22.122 277 HB3 ASN 36 HB3 ASN 36 21.915 -35.289 20.808 278 HD21 ASN 36 HD21 ASN 36 22.150 -32.173 21.818 279 HD22 ASN 36 HD22 ASN 36 20.946 -31.452 20.811 280 H ARG 37 H ARG 37 20.003 -37.683 21.776 281 HA ARG 37 HA ARG 37 21.834 -39.082 23.583 282 HB2 ARG 37 HB2 ARG 37 19.482 -40.041 21.949 283 HB3 ARG 37 HB3 ARG 37 20.525 -41.112 22.875 284 HG2 ARG 37 HG2 ARG 37 19.103 -38.805 24.156 285 HG3 ARG 37 HG3 ARG 37 18.331 -40.377 23.941 286 HD2 ARG 37 HD2 ARG 37 20.543 -41.250 25.059 287 HD3 ARG 37 HD3 ARG 37 20.625 -39.602 25.680 288 HE ARG 37 HE ARG 37 18.063 -40.773 26.110 289 HH11 ARG 37 HH11 ARG 37 21.329 -40.672 27.310 290 HH12 ARG 37 HH12 ARG 37 20.885 -41.091 28.931 291 HH21 ARG 37 HH21 ARG 37 17.465 -41.326 28.240 292 HH22 ARG 37 HH22 ARG 37 18.687 -41.464 29.459 293 H LEU 38 H LEU 38 20.916 -38.966 20.156 294 HA LEU 38 HA LEU 38 23.126 -40.687 19.414 295 HB2 LEU 38 HB2 LEU 38 20.858 -39.391 17.972 296 HB3 LEU 38 HB3 LEU 38 22.252 -39.957 17.054 297 HG LEU 38 HG LEU 38 20.425 -41.586 17.051 298 HD11 LEU 38 HD11 LEU 38 23.067 -42.081 17.402 299 HD12 LEU 38 HD12 LEU 38 21.850 -43.317 17.088 300 HD13 LEU 38 HD13 LEU 38 22.368 -42.990 18.742 301 HD21 LEU 38 HD21 LEU 38 19.678 -40.876 19.409 302 HD22 LEU 38 HD22 LEU 38 20.889 -42.024 19.981 303 HD23 LEU 38 HD23 LEU 38 19.555 -42.579 18.969 304 H GLU 39 H GLU 39 24.886 -40.079 18.130 305 HA GLU 39 HA GLU 39 25.781 -37.368 18.560 306 HB2 GLU 39 HB2 GLU 39 27.255 -39.404 18.777 307 HB3 GLU 39 HB3 GLU 39 27.182 -39.559 17.027 308 HG2 GLU 39 HG2 GLU 39 28.059 -37.157 16.965 309 HG3 GLU 39 HG3 GLU 39 28.458 -37.401 18.664 Start of MODEL 18 1 H1 MET 1 H MET 1 0.826 -2.929 -1.095 2 HA MET 1 HA MET 1 2.267 -3.660 -3.528 3 HB2 MET 1 HB2 MET 1 0.145 -2.193 -3.452 4 HB3 MET 1 HB3 MET 1 1.213 -0.919 -2.878 5 HG2 MET 1 HG2 MET 1 1.158 -0.522 -5.139 6 HG3 MET 1 HG3 MET 1 2.618 -1.494 -4.972 7 HE1 MET 1 HE1 MET 1 1.387 -2.181 -8.344 8 HE2 MET 1 HE2 MET 1 -0.204 -1.581 -7.877 9 HE3 MET 1 HE3 MET 1 1.248 -0.723 -7.360 10 H ILE 2 H ILE 2 3.795 -3.793 -1.200 11 HA ILE 2 HA ILE 2 5.271 -1.402 -0.743 12 HB ILE 2 HB ILE 2 6.623 -2.628 0.700 13 HG12 ILE 2 HG12 ILE 2 7.458 -4.273 -0.885 14 HG13 ILE 2 HG13 ILE 2 6.899 -5.089 0.571 15 HG21 ILE 2 HG21 ILE 2 5.142 -3.947 2.031 16 HG22 ILE 2 HG22 ILE 2 4.201 -2.642 1.310 17 HG23 ILE 2 HG23 ILE 2 4.100 -4.273 0.647 18 HD11 ILE 2 HD11 ILE 2 4.801 -5.647 -0.586 19 HD12 ILE 2 HD12 ILE 2 5.438 -4.898 -2.051 20 HD13 ILE 2 HD13 ILE 2 6.224 -6.325 -1.376 21 H SER 3 H SER 3 7.677 -1.310 -1.080 22 HA SER 3 HA SER 3 8.225 -1.735 -3.881 23 HB2 SER 3 HB2 SER 3 8.930 0.358 -2.879 24 HB3 SER 3 HB3 SER 3 9.886 -0.501 -1.671 25 HG SER 3 HG SER 3 10.348 -0.750 -4.453 26 H ASP 4 H ASP 4 9.892 -2.976 -4.752 27 HA ASP 4 HA ASP 4 10.348 -5.473 -3.553 28 HB2 ASP 4 HB2 ASP 4 11.798 -5.940 -5.416 29 HB3 ASP 4 HB3 ASP 4 10.434 -4.996 -6.010 30 H GLU 5 H GLU 5 12.289 -2.537 -3.667 31 HA GLU 5 HA GLU 5 14.683 -3.586 -2.654 32 HB2 GLU 5 HB2 GLU 5 13.456 -0.859 -2.724 33 HB3 GLU 5 HB3 GLU 5 14.904 -1.122 -1.762 34 HG2 GLU 5 HG2 GLU 5 16.216 -1.561 -3.604 35 HG3 GLU 5 HG3 GLU 5 14.838 -2.009 -4.608 36 H GLN 6 H GLN 6 12.063 -1.895 -0.924 37 HA GLN 6 HA GLN 6 13.119 -2.249 1.649 38 HB2 GLN 6 HB2 GLN 6 11.125 -0.779 0.755 39 HB3 GLN 6 HB3 GLN 6 10.162 -2.179 1.210 40 HG2 GLN 6 HG2 GLN 6 11.893 -0.489 2.993 41 HG3 GLN 6 HG3 GLN 6 10.136 -0.642 3.022 42 HE21 GLN 6 HE21 GLN 6 13.029 -1.739 4.303 43 HE22 GLN 6 HE22 GLN 6 12.433 -3.125 5.144 44 H LEU 7 H LEU 7 10.885 -4.228 -0.249 45 HA LEU 7 HA LEU 7 10.267 -6.095 1.763 46 HB2 LEU 7 HB2 LEU 7 8.933 -5.926 -0.233 47 HB3 LEU 7 HB3 LEU 7 10.312 -6.367 -1.237 48 HG LEU 7 HG LEU 7 10.220 -8.584 0.176 49 HD11 LEU 7 HD11 LEU 7 7.627 -7.261 0.715 50 HD12 LEU 7 HD12 LEU 7 8.559 -8.381 1.707 51 HD13 LEU 7 HD13 LEU 7 7.598 -8.988 0.359 52 HD21 LEU 7 HD21 LEU 7 9.553 -9.482 -1.754 53 HD22 LEU 7 HD22 LEU 7 9.443 -7.826 -2.353 54 HD23 LEU 7 HD23 LEU 7 8.008 -8.631 -1.715 55 H ASN 8 H ASN 8 12.725 -6.160 -0.805 56 HA ASN 8 HA ASN 8 13.799 -8.674 -0.228 57 HB2 ASN 8 HB2 ASN 8 14.258 -7.178 -2.248 58 HB3 ASN 8 HB3 ASN 8 15.424 -6.338 -1.230 59 HD21 ASN 8 HD21 ASN 8 15.171 -8.584 -3.536 60 HD22 ASN 8 HD22 ASN 8 16.546 -9.565 -3.173 61 H SER 9 H SER 9 14.834 -5.461 0.900 62 HA SER 9 HA SER 9 16.958 -6.328 2.505 63 HB2 SER 9 HB2 SER 9 16.971 -4.035 2.122 64 HB3 SER 9 HB3 SER 9 15.248 -3.866 2.455 65 HG SER 9 HG SER 9 16.261 -3.060 4.222 66 H LEU 10 H LEU 10 13.530 -5.873 3.240 67 HA LEU 10 HA LEU 10 13.711 -6.367 6.012 68 HB2 LEU 10 HB2 LEU 10 11.775 -5.408 4.542 69 HB3 LEU 10 HB3 LEU 10 11.286 -7.097 4.429 70 HG LEU 10 HG LEU 10 11.465 -6.953 7.066 71 HD11 LEU 10 HD11 LEU 10 12.296 -4.590 6.932 72 HD12 LEU 10 HD12 LEU 10 10.887 -4.833 7.964 73 HD13 LEU 10 HD13 LEU 10 10.692 -4.132 6.358 74 HD21 LEU 10 HD21 LEU 10 9.339 -6.518 5.123 75 HD22 LEU 10 HD22 LEU 10 8.992 -5.809 6.700 76 HD23 LEU 10 HD23 LEU 10 9.366 -7.528 6.568 77 H ALA 11 H ALA 11 13.330 -8.479 3.231 78 HA ALA 11 HA ALA 11 12.699 -10.835 4.676 79 HB1 ALA 11 HB1 ALA 11 13.225 -10.105 1.927 80 HB2 ALA 11 HB2 ALA 11 13.953 -11.658 2.341 81 HB3 ALA 11 HB3 ALA 11 12.224 -11.403 2.578 82 H ILE 12 H ILE 12 15.752 -9.739 3.190 83 HA ILE 12 HA ILE 12 17.345 -11.839 4.129 84 HB ILE 12 HB ILE 12 18.136 -10.370 2.375 85 HG12 ILE 12 HG12 ILE 12 20.418 -9.911 3.229 86 HG13 ILE 12 HG13 ILE 12 19.839 -10.175 4.871 87 HG21 ILE 12 HG21 ILE 12 18.746 -8.075 2.748 88 HG22 ILE 12 HG22 ILE 12 17.071 -8.308 3.246 89 HG23 ILE 12 HG23 ILE 12 18.345 -8.205 4.461 90 HD11 ILE 12 HD11 ILE 12 19.432 -12.328 2.869 91 HD12 ILE 12 HD12 ILE 12 21.050 -12.070 3.523 92 HD13 ILE 12 HD13 ILE 12 19.708 -12.433 4.607 93 H THR 13 H THR 13 16.508 -8.735 5.586 94 HA THR 13 HA THR 13 18.276 -8.875 7.777 95 HB THR 13 HB THR 13 16.643 -7.268 8.871 96 HG1 THR 13 HG1 THR 13 14.796 -6.850 7.889 97 HG21 THR 13 HG21 THR 13 18.085 -6.870 6.314 98 HG22 THR 13 HG22 THR 13 18.292 -6.065 7.870 99 HG23 THR 13 HG23 THR 13 16.970 -5.594 6.803 100 H PHE 14 H PHE 14 14.812 -9.681 7.541 101 HA PHE 14 HA PHE 14 14.514 -10.607 10.169 102 HB2 PHE 14 HB2 PHE 14 12.993 -10.885 7.633 103 HB3 PHE 14 HB3 PHE 14 12.636 -12.049 8.905 104 HD1 PHE 14 HD1 PHE 14 12.630 -10.692 11.345 105 HD2 PHE 14 HD2 PHE 14 11.452 -9.202 7.536 106 HE1 PHE 14 HE1 PHE 14 11.172 -9.044 12.444 107 HE2 PHE 14 HE2 PHE 14 9.993 -7.550 8.629 108 HZ PHE 14 HZ PHE 14 9.850 -7.470 11.087 109 H GLY 15 H GLY 15 15.612 -12.211 7.242 110 HA2 GLY 15 HA2 GLY 15 15.520 -14.864 8.234 111 HA3 GLY 15 HA3 GLY 15 16.483 -14.305 6.874 112 H ILE 16 H ILE 16 18.309 -12.676 7.826 113 HA ILE 16 HA ILE 16 20.190 -14.332 9.058 114 HB ILE 16 HB ILE 16 20.149 -11.316 8.922 115 HG12 ILE 16 HG12 ILE 16 20.077 -12.471 6.729 116 HG13 ILE 16 HG13 ILE 16 21.577 -11.583 6.972 117 HG21 ILE 16 HG21 ILE 16 22.397 -13.218 9.566 118 HG22 ILE 16 HG22 ILE 16 22.595 -11.496 9.247 119 HG23 ILE 16 HG23 ILE 16 21.670 -12.032 10.650 120 HD11 ILE 16 HD11 ILE 16 21.969 -13.749 5.939 121 HD12 ILE 16 HD12 ILE 16 22.719 -13.657 7.533 122 HD13 ILE 16 HD13 ILE 16 21.214 -14.550 7.316 123 H VAL 17 H VAL 17 18.314 -11.639 10.441 124 HA VAL 17 HA VAL 17 19.305 -11.777 13.042 125 HB VAL 17 HB VAL 17 16.533 -10.974 12.148 126 HG11 VAL 17 HG11 VAL 17 16.569 -11.446 14.526 127 HG12 VAL 17 HG12 VAL 17 17.991 -10.422 14.730 128 HG13 VAL 17 HG13 VAL 17 16.449 -9.708 14.256 129 HG21 VAL 17 HG21 VAL 17 18.922 -9.807 11.489 130 HG22 VAL 17 HG22 VAL 17 17.360 -8.989 11.521 131 HG23 VAL 17 HG23 VAL 17 18.434 -8.894 12.917 132 H MET 18 H MET 18 16.368 -13.290 11.702 133 HA MET 18 HA MET 18 15.548 -14.625 14.000 134 HB2 MET 18 HB2 MET 18 14.197 -14.395 11.933 135 HB3 MET 18 HB3 MET 18 15.244 -15.566 11.142 136 HG2 MET 18 HG2 MET 18 13.213 -16.634 11.860 137 HG3 MET 18 HG3 MET 18 14.576 -17.256 12.787 138 HE1 MET 18 HE1 MET 18 10.982 -16.453 13.173 139 HE2 MET 18 HE2 MET 18 11.815 -17.918 13.695 140 HE3 MET 18 HE3 MET 18 11.032 -16.877 14.885 141 H MET 19 H MET 19 17.569 -15.851 11.332 142 HA MET 19 HA MET 19 18.050 -18.387 12.405 143 HB2 MET 19 HB2 MET 19 18.567 -17.489 10.053 144 HB3 MET 19 HB3 MET 19 20.063 -16.882 10.749 145 HG2 MET 19 HG2 MET 19 20.174 -19.420 11.598 146 HG3 MET 19 HG3 MET 19 19.242 -19.641 10.119 147 HE1 MET 19 HE1 MET 19 21.557 -21.077 8.688 148 HE2 MET 19 HE2 MET 19 23.003 -20.721 9.634 149 HE3 MET 19 HE3 MET 19 21.500 -21.154 10.449 150 H THR 20 H THR 20 19.785 -15.336 12.822 151 HA THR 20 HA THR 20 21.961 -16.368 14.288 152 HB THR 20 HB THR 20 20.762 -13.592 14.373 153 HG1 THR 20 HG1 THR 20 21.773 -13.327 12.538 154 HG21 THR 20 HG21 THR 20 23.507 -13.485 14.887 155 HG22 THR 20 HG22 THR 20 22.902 -14.809 15.882 156 HG23 THR 20 HG23 THR 20 22.199 -13.199 16.034 157 H LEU 21 H LEU 21 18.842 -15.028 15.307 158 HA LEU 21 HA LEU 21 19.298 -15.054 18.069 159 HB2 LEU 21 HB2 LEU 21 16.754 -15.355 16.488 160 HB3 LEU 21 HB3 LEU 21 16.800 -15.169 18.240 161 HG LEU 21 HG LEU 21 18.042 -13.110 16.451 162 HD11 LEU 21 HD11 LEU 21 15.896 -13.157 15.533 163 HD12 LEU 21 HD12 LEU 21 15.813 -11.892 16.758 164 HD13 LEU 21 HD13 LEU 21 15.136 -13.486 17.090 165 HD21 LEU 21 HD21 LEU 21 17.463 -11.652 18.362 166 HD22 LEU 21 HD22 LEU 21 18.559 -12.962 18.802 167 HD23 LEU 21 HD23 LEU 21 16.848 -13.065 19.220 168 H ILE 22 H ILE 22 17.745 -17.499 15.998 169 HA ILE 22 HA ILE 22 17.337 -19.380 18.071 170 HB ILE 22 HB ILE 22 17.516 -19.775 15.083 171 HG12 ILE 22 HG12 ILE 22 14.934 -20.166 16.361 172 HG13 ILE 22 HG13 ILE 22 15.565 -18.549 16.656 173 HG21 ILE 22 HG21 ILE 22 16.207 -21.910 15.691 174 HG22 ILE 22 HG22 ILE 22 17.955 -21.900 15.916 175 HG23 ILE 22 HG23 ILE 22 16.887 -21.685 17.302 176 HD11 ILE 22 HD11 ILE 22 15.056 -17.909 14.601 177 HD12 ILE 22 HD12 ILE 22 15.893 -19.292 13.895 178 HD13 ILE 22 HD13 ILE 22 14.211 -19.444 14.405 179 H ASP 23 H ASP 23 20.030 -18.693 15.957 180 HA ASP 23 HA ASP 23 21.464 -21.095 16.321 181 HB2 ASP 23 HB2 ASP 23 22.010 -19.539 14.524 182 HB3 ASP 23 HB3 ASP 23 22.469 -18.310 15.699 183 H ILE 24 H ILE 24 21.784 -17.934 17.936 184 HA ILE 24 HA ILE 24 23.739 -18.814 19.792 185 HB ILE 24 HB ILE 24 23.241 -16.736 21.022 186 HG12 ILE 24 HG12 ILE 24 21.029 -16.463 18.977 187 HG13 ILE 24 HG13 ILE 24 20.839 -16.620 20.720 188 HG21 ILE 24 HG21 ILE 24 23.252 -15.709 18.283 189 HG22 ILE 24 HG22 ILE 24 24.452 -15.543 19.563 190 HG23 ILE 24 HG23 ILE 24 24.414 -17.003 18.574 191 HD11 ILE 24 HD11 ILE 24 20.544 -14.372 20.431 192 HD12 ILE 24 HD12 ILE 24 22.274 -14.441 20.770 193 HD13 ILE 24 HD13 ILE 24 21.707 -14.277 19.109 194 H TYR 25 H TYR 25 20.224 -18.614 19.881 195 HA TYR 25 HA TYR 25 19.953 -19.212 22.645 196 HB2 TYR 25 HB2 TYR 25 18.195 -18.129 21.219 197 HB3 TYR 25 HB3 TYR 25 17.924 -19.692 20.455 198 HD1 TYR 25 HD1 TYR 25 17.822 -17.949 23.735 199 HD2 TYR 25 HD2 TYR 25 16.474 -21.258 21.426 200 HE1 TYR 25 HE1 TYR 25 16.232 -18.536 25.517 201 HE2 TYR 25 HE2 TYR 25 14.879 -21.854 23.200 202 HH TYR 25 HH TYR 25 13.709 -20.743 25.072 203 H HIS 26 H HIS 26 20.108 -21.159 19.724 204 HA HIS 26 HA HIS 26 19.368 -23.612 20.981 205 HB2 HIS 26 HB2 HIS 26 19.042 -23.439 18.619 206 HB3 HIS 26 HB3 HIS 26 20.724 -22.987 18.356 207 HD1 HIS 26 HD1 HIS 26 18.597 -25.968 19.258 208 HD2 HIS 26 HD2 HIS 26 22.469 -25.091 18.034 209 HE1 HIS 26 HE1 HIS 26 19.655 -28.188 18.733 210 H ALA 27 H ALA 27 22.448 -22.089 20.133 211 HA ALA 27 HA ALA 27 24.101 -24.243 20.917 212 HB1 ALA 27 HB1 ALA 27 25.790 -22.229 21.189 213 HB2 ALA 27 HB2 ALA 27 25.257 -22.781 19.600 214 HB3 ALA 27 HB3 ALA 27 24.515 -21.359 20.334 215 H VAL 28 H VAL 28 23.055 -21.309 22.628 216 HA VAL 28 HA VAL 28 24.470 -21.851 25.018 217 HB VAL 28 HB VAL 28 22.007 -20.155 24.586 218 HG11 VAL 28 HG11 VAL 28 23.837 -20.472 26.948 219 HG12 VAL 28 HG12 VAL 28 22.857 -19.025 26.704 220 HG13 VAL 28 HG13 VAL 28 22.079 -20.597 26.894 221 HG21 VAL 28 HG21 VAL 28 23.346 -18.442 23.978 222 HG22 VAL 28 HG22 VAL 28 24.650 -18.935 25.057 223 HG23 VAL 28 HG23 VAL 28 24.439 -19.742 23.504 224 H ASP 29 H ASP 29 21.064 -22.345 24.116 225 HA ASP 29 HA ASP 29 20.232 -23.481 26.540 226 HB2 ASP 29 HB2 ASP 29 18.633 -22.690 24.884 227 HB3 ASP 29 HB3 ASP 29 19.171 -23.918 23.741 228 H SER 30 H SER 30 21.701 -24.908 23.678 229 HA SER 30 HA SER 30 21.342 -27.614 24.514 230 HB2 SER 30 HB2 SER 30 21.639 -27.031 22.146 231 HB3 SER 30 HB3 SER 30 23.266 -26.443 22.488 232 HG SER 30 HG SER 30 23.943 -28.418 22.356 233 H THR 31 H THR 31 23.900 -25.225 24.842 234 HA THR 31 HA THR 31 25.869 -27.005 25.859 235 HB THR 31 HB THR 31 25.634 -24.006 26.174 236 HG1 THR 31 HG1 THR 31 26.152 -24.123 24.121 237 HG21 THR 31 HG21 THR 31 27.649 -25.977 27.084 238 HG22 THR 31 HG22 THR 31 27.205 -24.413 27.766 239 HG23 THR 31 HG23 THR 31 28.264 -24.493 26.359 240 H MET 32 H MET 32 23.348 -25.046 27.331 241 HA MET 32 HA MET 32 24.254 -25.625 30.018 242 HB2 MET 32 HB2 MET 32 22.374 -24.290 30.748 243 HB3 MET 32 HB3 MET 32 23.208 -23.453 29.446 244 HG2 MET 32 HG2 MET 32 21.497 -24.295 27.870 245 HG3 MET 32 HG3 MET 32 20.638 -25.000 29.237 246 HE1 MET 32 HE1 MET 32 18.672 -22.323 30.757 247 HE2 MET 32 HE2 MET 32 19.132 -24.019 30.614 248 HE3 MET 32 HE3 MET 32 20.136 -22.908 31.548 249 H SER 33 H SER 33 21.745 -26.698 27.802 250 HA SER 33 HA SER 33 21.165 -28.917 29.639 251 HB2 SER 33 HB2 SER 33 19.224 -27.017 28.374 252 HB3 SER 33 HB3 SER 33 18.737 -28.690 28.651 253 HG SER 33 HG SER 33 18.647 -28.317 30.725 254 HA PRO 34 HA PRO 34 22.171 -30.313 25.301 255 HB2 PRO 34 HB2 PRO 34 24.054 -32.119 26.050 256 HB3 PRO 34 HB3 PRO 34 24.424 -30.419 25.737 257 HG2 PRO 34 HG2 PRO 34 23.985 -31.813 28.350 258 HG3 PRO 34 HG3 PRO 34 25.216 -30.613 27.915 259 HD2 PRO 34 HD2 PRO 34 22.982 -29.970 29.304 260 HD3 PRO 34 HD3 PRO 34 23.764 -28.843 28.177 261 H LYS 35 H LYS 35 20.132 -31.300 25.173 262 HA LYS 35 HA LYS 35 19.944 -33.985 26.372 263 HB2 LYS 35 HB2 LYS 35 17.765 -32.073 25.518 264 HB3 LYS 35 HB3 LYS 35 17.473 -33.732 26.022 265 HG2 LYS 35 HG2 LYS 35 18.895 -31.769 27.788 266 HG3 LYS 35 HG3 LYS 35 17.135 -31.899 27.752 267 HD2 LYS 35 HD2 LYS 35 18.756 -34.376 28.109 268 HD3 LYS 35 HD3 LYS 35 18.562 -33.279 29.479 269 HE2 LYS 35 HE2 LYS 35 16.266 -34.379 27.867 270 HE3 LYS 35 HE3 LYS 35 16.867 -35.119 29.350 271 HZ1 LYS 35 HZ1 LYS 35 15.389 -32.617 28.987 272 HZ2 LYS 35 HZ2 LYS 35 16.502 -32.704 30.257 273 HZ3 LYS 35 HZ3 LYS 35 15.221 -33.806 30.179 274 H ASN 36 H ASN 36 19.032 -32.132 23.469 275 HA ASN 36 HA ASN 36 19.286 -34.626 21.920 276 HB2 ASN 36 HB2 ASN 36 17.637 -33.706 20.347 277 HB3 ASN 36 HB3 ASN 36 16.968 -33.823 21.972 278 HD21 ASN 36 HD21 ASN 36 16.676 -32.026 19.446 279 HD22 ASN 36 HD22 ASN 36 16.572 -30.441 20.126 280 H ARG 37 H ARG 37 20.231 -34.496 19.848 281 HA ARG 37 HA ARG 37 21.780 -32.036 19.362 282 HB2 ARG 37 HB2 ARG 37 23.154 -33.960 20.197 283 HB3 ARG 37 HB3 ARG 37 22.690 -34.852 18.754 284 HG2 ARG 37 HG2 ARG 37 23.852 -33.345 17.341 285 HG3 ARG 37 HG3 ARG 37 24.095 -32.197 18.659 286 HD2 ARG 37 HD2 ARG 37 26.146 -33.203 18.635 287 HD3 ARG 37 HD3 ARG 37 25.306 -34.259 19.770 288 HE ARG 37 HE ARG 37 24.857 -35.469 17.410 289 HH11 ARG 37 HH11 ARG 37 27.753 -34.272 18.925 290 HH12 ARG 37 HH12 ARG 37 28.785 -35.448 18.180 291 HH21 ARG 37 HH21 ARG 37 26.204 -37.021 16.422 292 HH22 ARG 37 HH22 ARG 37 27.903 -37.010 16.756 293 H LEU 38 H LEU 38 20.620 -35.013 17.779 294 HA LEU 38 HA LEU 38 20.451 -33.557 15.244 295 HB2 LEU 38 HB2 LEU 38 21.554 -35.871 15.552 296 HB3 LEU 38 HB3 LEU 38 19.901 -36.481 15.601 297 HG LEU 38 HG LEU 38 19.518 -35.588 13.344 298 HD11 LEU 38 HD11 LEU 38 22.419 -34.795 13.519 299 HD12 LEU 38 HD12 LEU 38 21.031 -33.724 13.330 300 HD13 LEU 38 HD13 LEU 38 21.476 -34.828 12.028 301 HD21 LEU 38 HD21 LEU 38 21.316 -37.090 12.211 302 HD22 LEU 38 HD22 LEU 38 20.097 -37.820 13.257 303 HD23 LEU 38 HD23 LEU 38 21.727 -37.530 13.869 304 H GLU 39 H GLU 39 18.572 -32.863 14.464 305 HA GLU 39 HA GLU 39 16.104 -33.779 15.768 306 HB2 GLU 39 HB2 GLU 39 15.092 -31.712 15.067 307 HB3 GLU 39 HB3 GLU 39 16.624 -31.346 15.848 308 HG2 GLU 39 HG2 GLU 39 17.536 -31.414 13.393 309 HG3 GLU 39 HG3 GLU 39 15.849 -31.108 12.987 Start of MODEL 19 1 H1 MET 1 H MET 1 1.905 -1.044 -3.080 2 HA MET 1 HA MET 1 1.906 1.869 -3.528 3 HB2 MET 1 HB2 MET 1 1.443 1.989 -1.014 4 HB3 MET 1 HB3 MET 1 0.114 1.492 -2.053 5 HG2 MET 1 HG2 MET 1 1.816 -0.646 -0.921 6 HG3 MET 1 HG3 MET 1 0.752 0.217 0.188 7 HE1 MET 1 HE1 MET 1 -2.722 -0.273 -1.352 8 HE2 MET 1 HE2 MET 1 -2.075 -0.497 0.273 9 HE3 MET 1 HE3 MET 1 -1.597 0.908 -0.680 10 H ILE 2 H ILE 2 3.453 -0.868 -1.956 11 HA ILE 2 HA ILE 2 5.570 0.741 -0.833 12 HB ILE 2 HB ILE 2 6.585 -1.448 -0.218 13 HG12 ILE 2 HG12 ILE 2 4.047 -2.766 -1.125 14 HG13 ILE 2 HG13 ILE 2 5.386 -2.573 -2.251 15 HG21 ILE 2 HG21 ILE 2 3.839 -1.784 0.743 16 HG22 ILE 2 HG22 ILE 2 5.331 -1.505 1.640 17 HG23 ILE 2 HG23 ILE 2 4.475 -0.148 0.908 18 HD11 ILE 2 HD11 ILE 2 5.694 -4.696 -1.383 19 HD12 ILE 2 HD12 ILE 2 6.798 -3.705 -0.429 20 HD13 ILE 2 HD13 ILE 2 5.248 -4.201 0.250 21 H SER 3 H SER 3 7.873 0.195 -1.299 22 HA SER 3 HA SER 3 8.246 -0.010 -4.203 23 HB2 SER 3 HB2 SER 3 10.414 0.855 -2.320 24 HB3 SER 3 HB3 SER 3 10.138 1.327 -3.997 25 HG SER 3 HG SER 3 8.758 2.819 -3.367 26 H ASP 4 H ASP 4 9.637 -1.471 -5.120 27 HA ASP 4 HA ASP 4 9.975 -3.954 -3.918 28 HB2 ASP 4 HB2 ASP 4 11.428 -2.681 -6.239 29 HB3 ASP 4 HB3 ASP 4 11.649 -4.365 -5.771 30 H GLU 5 H GLU 5 12.210 -1.226 -4.141 31 HA GLU 5 HA GLU 5 14.503 -2.458 -3.144 32 HB2 GLU 5 HB2 GLU 5 13.511 0.378 -3.061 33 HB3 GLU 5 HB3 GLU 5 15.028 -0.071 -2.295 34 HG2 GLU 5 HG2 GLU 5 14.445 -0.673 -5.175 35 HG3 GLU 5 HG3 GLU 5 15.152 0.853 -4.649 36 H GLN 6 H GLN 6 12.049 -0.591 -1.354 37 HA GLN 6 HA GLN 6 13.124 -1.029 1.197 38 HB2 GLN 6 HB2 GLN 6 11.300 0.630 0.455 39 HB3 GLN 6 HB3 GLN 6 10.178 -0.707 0.674 40 HG2 GLN 6 HG2 GLN 6 10.198 0.680 2.639 41 HG3 GLN 6 HG3 GLN 6 10.888 -0.899 3.015 42 HE21 GLN 6 HE21 GLN 6 12.572 -0.785 4.295 43 HE22 GLN 6 HE22 GLN 6 13.747 0.480 4.334 44 H LEU 7 H LEU 7 10.774 -2.869 -0.691 45 HA LEU 7 HA LEU 7 10.024 -4.689 1.314 46 HB2 LEU 7 HB2 LEU 7 8.774 -4.413 -0.755 47 HB3 LEU 7 HB3 LEU 7 10.133 -5.054 -1.677 48 HG LEU 7 HG LEU 7 8.948 -6.788 0.425 49 HD11 LEU 7 HD11 LEU 7 7.428 -7.542 -1.630 50 HD12 LEU 7 HD12 LEU 7 7.512 -5.814 -1.971 51 HD13 LEU 7 HD13 LEU 7 6.887 -6.377 -0.421 52 HD21 LEU 7 HD21 LEU 7 10.605 -7.014 -1.959 53 HD22 LEU 7 HD22 LEU 7 9.309 -8.209 -1.900 54 HD23 LEU 7 HD23 LEU 7 10.463 -8.092 -0.571 55 H ASN 8 H ASN 8 12.430 -5.025 -1.295 56 HA ASN 8 HA ASN 8 13.373 -7.552 -0.608 57 HB2 ASN 8 HB2 ASN 8 14.468 -5.238 -2.129 58 HB3 ASN 8 HB3 ASN 8 15.598 -6.500 -1.647 59 HD21 ASN 8 HD21 ASN 8 14.347 -8.783 -1.944 60 HD22 ASN 8 HD22 ASN 8 13.791 -9.015 -3.563 61 H SER 9 H SER 9 14.619 -4.365 0.371 62 HA SER 9 HA SER 9 16.735 -5.231 1.950 63 HB2 SER 9 HB2 SER 9 16.418 -2.881 1.336 64 HB3 SER 9 HB3 SER 9 14.977 -2.797 2.350 65 HG SER 9 HG SER 9 16.266 -2.347 3.932 66 H LEU 10 H LEU 10 13.371 -4.578 2.893 67 HA LEU 10 HA LEU 10 13.665 -5.188 5.619 68 HB2 LEU 10 HB2 LEU 10 11.742 -3.995 4.925 69 HB3 LEU 10 HB3 LEU 10 11.297 -5.248 3.769 70 HG LEU 10 HG LEU 10 11.363 -6.019 6.631 71 HD11 LEU 10 HD11 LEU 10 8.833 -5.138 6.486 72 HD12 LEU 10 HD12 LEU 10 9.639 -3.890 5.536 73 HD13 LEU 10 HD13 LEU 10 10.149 -4.202 7.195 74 HD21 LEU 10 HD21 LEU 10 10.213 -7.744 5.839 75 HD22 LEU 10 HD22 LEU 10 10.454 -7.099 4.215 76 HD23 LEU 10 HD23 LEU 10 9.003 -6.677 5.126 77 H ALA 11 H ALA 11 13.049 -7.204 2.814 78 HA ALA 11 HA ALA 11 12.301 -9.556 4.178 79 HB1 ALA 11 HB1 ALA 11 13.182 -8.868 1.444 80 HB2 ALA 11 HB2 ALA 11 13.380 -10.551 1.936 81 HB3 ALA 11 HB3 ALA 11 11.786 -9.798 1.989 82 H ILE 12 H ILE 12 15.448 -8.606 2.789 83 HA ILE 12 HA ILE 12 16.868 -10.827 3.783 84 HB ILE 12 HB ILE 12 17.783 -9.517 1.974 85 HG12 ILE 12 HG12 ILE 12 19.233 -10.553 3.976 86 HG13 ILE 12 HG13 ILE 12 19.969 -9.752 2.592 87 HG21 ILE 12 HG21 ILE 12 16.944 -7.339 2.477 88 HG22 ILE 12 HG22 ILE 12 17.868 -7.271 3.977 89 HG23 ILE 12 HG23 ILE 12 18.704 -7.238 2.425 90 HD11 ILE 12 HD11 ILE 12 20.760 -9.142 4.960 91 HD12 ILE 12 HD12 ILE 12 20.461 -7.843 3.804 92 HD13 ILE 12 HD13 ILE 12 19.268 -8.206 5.051 93 H THR 13 H THR 13 16.078 -7.711 5.168 94 HA THR 13 HA THR 13 17.901 -7.762 7.324 95 HB THR 13 HB THR 13 15.217 -6.382 7.119 96 HG1 THR 13 HG1 THR 13 16.336 -4.730 6.260 97 HG21 THR 13 HG21 THR 13 16.123 -4.901 8.897 98 HG22 THR 13 HG22 THR 13 17.490 -6.002 9.071 99 HG23 THR 13 HG23 THR 13 15.857 -6.558 9.440 100 H PHE 14 H PHE 14 14.444 -8.621 7.179 101 HA PHE 14 HA PHE 14 14.286 -9.539 9.843 102 HB2 PHE 14 HB2 PHE 14 12.582 -9.826 7.403 103 HB3 PHE 14 HB3 PHE 14 12.245 -10.845 8.798 104 HD1 PHE 14 HD1 PHE 14 10.390 -10.063 9.897 105 HD2 PHE 14 HD2 PHE 14 13.260 -7.272 8.450 106 HE1 PHE 14 HE1 PHE 14 9.120 -8.226 10.930 107 HE2 PHE 14 HE2 PHE 14 11.995 -5.431 9.482 108 HZ PHE 14 HZ PHE 14 9.922 -5.907 10.725 109 H GLY 15 H GLY 15 15.079 -11.129 6.806 110 HA2 GLY 15 HA2 GLY 15 14.957 -13.794 7.718 111 HA3 GLY 15 HA3 GLY 15 15.891 -13.226 6.343 112 H ILE 16 H ILE 16 17.746 -11.598 7.427 113 HA ILE 16 HA ILE 16 19.611 -13.424 8.517 114 HB ILE 16 HB ILE 16 19.724 -10.412 8.345 115 HG12 ILE 16 HG12 ILE 16 19.573 -11.618 6.180 116 HG13 ILE 16 HG13 ILE 16 21.108 -10.781 6.384 117 HG21 ILE 16 HG21 ILE 16 22.212 -10.807 8.570 118 HG22 ILE 16 HG22 ILE 16 21.255 -11.026 10.035 119 HG23 ILE 16 HG23 ILE 16 21.810 -12.432 9.126 120 HD11 ILE 16 HD11 ILE 16 21.272 -13.484 7.360 121 HD12 ILE 16 HD12 ILE 16 20.723 -13.438 5.684 122 HD13 ILE 16 HD13 ILE 16 22.242 -12.664 6.137 123 H VAL 17 H VAL 17 18.057 -10.555 9.958 124 HA VAL 17 HA VAL 17 19.082 -10.744 12.513 125 HB VAL 17 HB VAL 17 16.317 -9.842 11.695 126 HG11 VAL 17 HG11 VAL 17 17.074 -8.454 13.971 127 HG12 VAL 17 HG12 VAL 17 15.877 -9.747 13.878 128 HG13 VAL 17 HG13 VAL 17 17.548 -10.120 14.303 129 HG21 VAL 17 HG21 VAL 17 18.554 -8.743 10.831 130 HG22 VAL 17 HG22 VAL 17 17.175 -7.754 11.313 131 HG23 VAL 17 HG23 VAL 17 18.526 -7.986 12.423 132 H MET 18 H MET 18 16.025 -12.151 11.331 133 HA MET 18 HA MET 18 15.314 -13.462 13.692 134 HB2 MET 18 HB2 MET 18 13.756 -13.151 11.838 135 HB3 MET 18 HB3 MET 18 14.709 -14.233 10.832 136 HG2 MET 18 HG2 MET 18 14.241 -16.053 12.460 137 HG3 MET 18 HG3 MET 18 13.157 -14.950 13.305 138 HE1 MET 18 HE1 MET 18 14.114 -16.870 10.376 139 HE2 MET 18 HE2 MET 18 12.591 -17.474 9.722 140 HE3 MET 18 HE3 MET 18 13.284 -15.974 9.103 141 H MET 19 H MET 19 17.049 -14.728 10.849 142 HA MET 19 HA MET 19 17.456 -17.321 11.750 143 HB2 MET 19 HB2 MET 19 17.950 -16.456 9.453 144 HB3 MET 19 HB3 MET 19 19.402 -15.704 10.099 145 HG2 MET 19 HG2 MET 19 19.033 -18.600 10.589 146 HG3 MET 19 HG3 MET 19 19.417 -18.089 8.946 147 HE1 MET 19 HE1 MET 19 21.807 -19.899 11.080 148 HE2 MET 19 HE2 MET 19 21.111 -19.846 9.460 149 HE3 MET 19 HE3 MET 19 22.779 -19.332 9.721 150 H THR 20 H THR 20 19.419 -14.423 12.292 151 HA THR 20 HA THR 20 21.515 -15.702 13.683 152 HB THR 20 HB THR 20 20.603 -12.836 13.999 153 HG1 THR 20 HG1 THR 20 21.813 -12.388 12.230 154 HG21 THR 20 HG21 THR 20 22.215 -12.838 15.562 155 HG22 THR 20 HG22 THR 20 23.338 -12.908 14.204 156 HG23 THR 20 HG23 THR 20 22.856 -14.391 15.027 157 H LEU 21 H LEU 21 18.472 -14.268 14.745 158 HA LEU 21 HA LEU 21 18.956 -14.353 17.513 159 HB2 LEU 21 HB2 LEU 21 16.400 -14.459 15.929 160 HB3 LEU 21 HB3 LEU 21 16.446 -14.354 17.687 161 HG LEU 21 HG LEU 21 17.822 -12.287 16.013 162 HD11 LEU 21 HD11 LEU 21 14.901 -12.665 16.400 163 HD12 LEU 21 HD12 LEU 21 15.786 -11.989 15.033 164 HD13 LEU 21 HD13 LEU 21 15.551 -11.028 16.492 165 HD21 LEU 21 HD21 LEU 21 18.369 -11.851 18.175 166 HD22 LEU 21 HD22 LEU 21 16.914 -12.612 18.817 167 HD23 LEU 21 HD23 LEU 21 16.828 -10.996 18.114 168 H ILE 22 H ILE 22 17.226 -16.648 15.408 169 HA ILE 22 HA ILE 22 16.742 -18.558 17.434 170 HB ILE 22 HB ILE 22 16.295 -20.135 15.580 171 HG12 ILE 22 HG12 ILE 22 17.196 -17.826 13.845 172 HG13 ILE 22 HG13 ILE 22 18.011 -19.377 14.014 173 HG21 ILE 22 HG21 ILE 22 14.266 -19.229 15.220 174 HG22 ILE 22 HG22 ILE 22 14.821 -18.015 16.371 175 HG23 ILE 22 HG23 ILE 22 14.934 -17.704 14.639 176 HD11 ILE 22 HD11 ILE 22 16.899 -19.797 12.100 177 HD12 ILE 22 HD12 ILE 22 15.615 -20.241 13.225 178 HD13 ILE 22 HD13 ILE 22 15.610 -18.650 12.464 179 H ASP 23 H ASP 23 19.415 -18.040 15.221 180 HA ASP 23 HA ASP 23 20.712 -20.518 15.606 181 HB2 ASP 23 HB2 ASP 23 21.359 -19.203 13.727 182 HB3 ASP 23 HB3 ASP 23 21.722 -17.809 14.741 183 H ILE 24 H ILE 24 21.281 -17.331 17.093 184 HA ILE 24 HA ILE 24 23.302 -18.179 18.857 185 HB ILE 24 HB ILE 24 21.374 -15.875 19.176 186 HG12 ILE 24 HG12 ILE 24 24.222 -15.700 18.228 187 HG13 ILE 24 HG13 ILE 24 22.917 -16.039 17.097 188 HG21 ILE 24 HG21 ILE 24 22.246 -15.875 21.255 189 HG22 ILE 24 HG22 ILE 24 23.647 -16.836 20.783 190 HG23 ILE 24 HG23 ILE 24 23.615 -15.104 20.455 191 HD11 ILE 24 HD11 ILE 24 23.769 -13.585 17.587 192 HD12 ILE 24 HD12 ILE 24 22.078 -13.937 17.227 193 HD13 ILE 24 HD13 ILE 24 22.596 -13.712 18.898 194 H TYR 25 H TYR 25 19.804 -17.775 19.339 195 HA TYR 25 HA TYR 25 19.750 -18.509 22.049 196 HB2 TYR 25 HB2 TYR 25 17.700 -18.465 19.860 197 HB3 TYR 25 HB3 TYR 25 17.300 -19.166 21.424 198 HD1 TYR 25 HD1 TYR 25 16.702 -16.397 19.656 199 HD2 TYR 25 HD2 TYR 25 18.489 -17.449 23.370 200 HE1 TYR 25 HE1 TYR 25 16.202 -14.151 20.526 201 HE2 TYR 25 HE2 TYR 25 17.993 -15.207 24.251 202 HH TYR 25 HH TYR 25 16.975 -13.264 23.873 203 H HIS 26 H HIS 26 19.527 -20.421 19.093 204 HA HIS 26 HA HIS 26 18.892 -22.879 20.357 205 HB2 HIS 26 HB2 HIS 26 18.430 -22.633 18.015 206 HB3 HIS 26 HB3 HIS 26 20.113 -22.250 17.666 207 HD1 HIS 26 HD1 HIS 26 21.383 -24.144 16.733 208 HD2 HIS 26 HD2 HIS 26 18.255 -25.433 19.144 209 HE1 HIS 26 HE1 HIS 26 21.430 -26.656 16.609 210 H ALA 27 H ALA 27 21.925 -21.324 19.455 211 HA ALA 27 HA ALA 27 23.620 -23.516 20.001 212 HB1 ALA 27 HB1 ALA 27 24.100 -20.552 19.868 213 HB2 ALA 27 HB2 ALA 27 25.390 -21.705 20.213 214 HB3 ALA 27 HB3 ALA 27 24.520 -21.789 18.682 215 H VAL 28 H VAL 28 22.795 -20.658 21.967 216 HA VAL 28 HA VAL 28 24.240 -21.473 24.253 217 HB VAL 28 HB VAL 28 23.575 -19.150 23.939 218 HG11 VAL 28 HG11 VAL 28 21.322 -19.812 22.923 219 HG12 VAL 28 HG12 VAL 28 20.743 -19.907 24.588 220 HG13 VAL 28 HG13 VAL 28 21.364 -18.382 23.954 221 HG21 VAL 28 HG21 VAL 28 23.869 -20.237 26.245 222 HG22 VAL 28 HG22 VAL 28 23.087 -18.658 26.172 223 HG23 VAL 28 HG23 VAL 28 22.115 -20.115 26.377 224 H ASP 29 H ASP 29 20.934 -22.027 23.189 225 HA ASP 29 HA ASP 29 20.014 -23.153 25.635 226 HB2 ASP 29 HB2 ASP 29 18.406 -22.269 24.073 227 HB3 ASP 29 HB3 ASP 29 18.966 -23.360 22.807 228 H SER 30 H SER 30 21.502 -24.460 22.732 229 HA SER 30 HA SER 30 21.051 -27.198 23.376 230 HB2 SER 30 HB2 SER 30 22.895 -25.794 21.449 231 HB3 SER 30 HB3 SER 30 22.928 -27.545 21.653 232 HG SER 30 HG SER 30 21.418 -26.353 20.022 233 H THR 31 H THR 31 23.817 -25.012 23.759 234 HA THR 31 HA THR 31 25.521 -26.965 24.933 235 HB THR 31 HB THR 31 26.440 -24.967 23.857 236 HG1 THR 31 HG1 THR 31 27.017 -24.987 26.650 237 HG21 THR 31 HG21 THR 31 24.565 -23.463 24.713 238 HG22 THR 31 HG22 THR 31 26.192 -22.782 24.710 239 HG23 THR 31 HG23 THR 31 25.482 -23.363 26.216 240 H MET 32 H MET 32 23.242 -24.611 26.205 241 HA MET 32 HA MET 32 24.021 -24.995 28.941 242 HB2 MET 32 HB2 MET 32 23.003 -22.888 28.108 243 HB3 MET 32 HB3 MET 32 21.498 -23.754 27.829 244 HG2 MET 32 HG2 MET 32 21.171 -22.689 29.865 245 HG3 MET 32 HG3 MET 32 21.583 -24.343 30.309 246 HE1 MET 32 HE1 MET 32 23.807 -20.557 30.332 247 HE2 MET 32 HE2 MET 32 22.070 -20.865 30.332 248 HE3 MET 32 HE3 MET 32 22.932 -20.672 31.859 249 H SER 33 H SER 33 21.472 -26.209 26.827 250 HA SER 33 HA SER 33 20.889 -28.271 28.838 251 HB2 SER 33 HB2 SER 33 19.104 -26.570 28.940 252 HB3 SER 33 HB3 SER 33 18.804 -26.789 27.216 253 HG SER 33 HG SER 33 17.909 -28.247 29.301 254 HA PRO 34 HA PRO 34 21.783 -30.014 24.602 255 HB2 PRO 34 HB2 PRO 34 23.645 -31.796 25.454 256 HB3 PRO 34 HB3 PRO 34 24.042 -30.133 25.006 257 HG2 PRO 34 HG2 PRO 34 23.627 -31.314 27.725 258 HG3 PRO 34 HG3 PRO 34 24.872 -30.177 27.177 259 HD2 PRO 34 HD2 PRO 34 22.678 -29.385 28.552 260 HD3 PRO 34 HD3 PRO 34 23.459 -28.362 27.329 261 H LYS 35 H LYS 35 21.490 -32.251 23.891 262 HA LYS 35 HA LYS 35 19.753 -33.751 25.737 263 HB2 LYS 35 HB2 LYS 35 18.567 -32.943 23.770 264 HB3 LYS 35 HB3 LYS 35 19.766 -33.678 22.714 265 HG2 LYS 35 HG2 LYS 35 17.908 -35.114 22.680 266 HG3 LYS 35 HG3 LYS 35 19.101 -35.900 23.718 267 HD2 LYS 35 HD2 LYS 35 17.082 -36.119 24.884 268 HD3 LYS 35 HD3 LYS 35 17.888 -34.755 25.662 269 HE2 LYS 35 HE2 LYS 35 15.762 -33.921 25.388 270 HE3 LYS 35 HE3 LYS 35 16.546 -33.347 23.916 271 HZ1 LYS 35 HZ1 LYS 35 14.964 -35.852 24.069 272 HZ2 LYS 35 HZ2 LYS 35 15.560 -35.103 22.676 273 HZ3 LYS 35 HZ3 LYS 35 14.326 -34.368 23.568 274 H ASN 36 H ASN 36 20.028 -35.949 25.991 275 HA ASN 36 HA ASN 36 22.636 -36.970 25.150 276 HB2 ASN 36 HB2 ASN 36 21.740 -37.022 27.581 277 HB3 ASN 36 HB3 ASN 36 20.757 -38.376 27.032 278 HD21 ASN 36 HD21 ASN 36 21.661 -40.102 27.921 279 HD22 ASN 36 HD22 ASN 36 23.328 -40.539 27.793 280 H ARG 37 H ARG 37 22.687 -38.072 23.310 281 HA ARG 37 HA ARG 37 20.428 -39.858 22.684 282 HB2 ARG 37 HB2 ARG 37 20.786 -37.837 21.168 283 HB3 ARG 37 HB3 ARG 37 22.267 -38.625 20.640 284 HG2 ARG 37 HG2 ARG 37 21.109 -40.389 19.635 285 HG3 ARG 37 HG3 ARG 37 19.616 -40.014 20.498 286 HD2 ARG 37 HD2 ARG 37 19.268 -38.049 19.200 287 HD3 ARG 37 HD3 ARG 37 20.880 -38.156 18.494 288 HE ARG 37 HE ARG 37 19.260 -40.452 17.937 289 HH11 ARG 37 HH11 ARG 37 20.007 -37.198 16.950 290 HH12 ARG 37 HH12 ARG 37 19.501 -37.439 15.311 291 HH21 ARG 37 HH21 ARG 37 18.591 -40.783 15.781 292 HH22 ARG 37 HH22 ARG 37 18.695 -39.479 14.647 293 H LEU 38 H LEU 38 21.014 -41.888 23.075 294 HA LEU 38 HA LEU 38 23.775 -42.718 22.932 295 HB2 LEU 38 HB2 LEU 38 22.278 -43.533 24.699 296 HB3 LEU 38 HB3 LEU 38 21.278 -44.318 23.478 297 HG LEU 38 HG LEU 38 23.215 -45.766 22.902 298 HD11 LEU 38 HD11 LEU 38 24.497 -44.040 24.920 299 HD12 LEU 38 HD12 LEU 38 25.189 -44.872 23.528 300 HD13 LEU 38 HD13 LEU 38 24.869 -45.762 25.016 301 HD21 LEU 38 HD21 LEU 38 21.905 -45.749 25.575 302 HD22 LEU 38 HD22 LEU 38 23.187 -46.921 25.268 303 HD23 LEU 38 HD23 LEU 38 21.749 -46.898 24.246 304 H GLU 39 H GLU 39 24.700 -43.274 21.083 305 HA GLU 39 HA GLU 39 23.148 -43.968 18.764 306 HB2 GLU 39 HB2 GLU 39 26.073 -43.620 19.328 307 HB3 GLU 39 HB3 GLU 39 25.551 -44.380 17.831 308 HG2 GLU 39 HG2 GLU 39 24.714 -41.643 18.760 309 HG3 GLU 39 HG3 GLU 39 25.990 -41.974 17.590 Start of MODEL 20 1 H1 MET 1 H MET 1 1.171 -5.044 -1.777 2 HA MET 1 HA MET 1 2.022 -3.743 -3.437 3 HB2 MET 1 HB2 MET 1 1.111 -1.437 -3.613 4 HB3 MET 1 HB3 MET 1 -0.131 -2.659 -3.371 5 HG2 MET 1 HG2 MET 1 -0.408 -2.045 -1.094 6 HG3 MET 1 HG3 MET 1 1.016 -1.008 -1.139 7 HE1 MET 1 HE1 MET 1 -0.120 2.264 -2.496 8 HE2 MET 1 HE2 MET 1 0.611 1.530 -1.069 9 HE3 MET 1 HE3 MET 1 1.200 1.108 -2.678 10 H ILE 2 H ILE 2 3.687 -4.133 -1.195 11 HA ILE 2 HA ILE 2 4.892 -1.693 -0.356 12 HB ILE 2 HB ILE 2 6.448 -2.975 0.805 13 HG12 ILE 2 HG12 ILE 2 7.391 -4.199 -1.074 14 HG13 ILE 2 HG13 ILE 2 7.006 -5.320 0.227 15 HG21 ILE 2 HG21 ILE 2 4.136 -4.884 0.527 16 HG22 ILE 2 HG22 ILE 2 5.203 -4.685 1.915 17 HG23 ILE 2 HG23 ILE 2 4.081 -3.398 1.474 18 HD11 ILE 2 HD11 ILE 2 5.400 -4.857 -2.273 19 HD12 ILE 2 HD12 ILE 2 6.382 -6.271 -1.890 20 HD13 ILE 2 HD13 ILE 2 4.932 -5.924 -0.949 21 H SER 3 H SER 3 7.250 -1.246 -0.741 22 HA SER 3 HA SER 3 7.712 -1.178 -3.602 23 HB2 SER 3 HB2 SER 3 9.516 -0.043 -1.464 24 HB3 SER 3 HB3 SER 3 9.383 0.452 -3.152 25 HG SER 3 HG SER 3 7.473 1.426 -2.729 26 H ASP 4 H ASP 4 9.614 -1.915 -4.624 27 HA ASP 4 HA ASP 4 10.479 -4.465 -3.870 28 HB2 ASP 4 HB2 ASP 4 12.034 -2.595 -5.657 29 HB3 ASP 4 HB3 ASP 4 11.991 -4.355 -5.708 30 H GLU 5 H GLU 5 11.854 -1.286 -3.270 31 HA GLU 5 HA GLU 5 14.360 -2.149 -2.298 32 HB2 GLU 5 HB2 GLU 5 12.785 0.365 -1.729 33 HB3 GLU 5 HB3 GLU 5 14.448 0.108 -1.222 34 HG2 GLU 5 HG2 GLU 5 14.768 1.286 -3.147 35 HG3 GLU 5 HG3 GLU 5 14.836 -0.364 -3.762 36 H GLN 6 H GLN 6 11.426 -1.133 -0.546 37 HA GLN 6 HA GLN 6 12.376 -1.713 2.025 38 HB2 GLN 6 HB2 GLN 6 10.210 -0.464 1.173 39 HB3 GLN 6 HB3 GLN 6 9.478 -2.049 1.387 40 HG2 GLN 6 HG2 GLN 6 9.080 -0.917 3.390 41 HG3 GLN 6 HG3 GLN 6 10.424 -2.004 3.739 42 HE21 GLN 6 HE21 GLN 6 9.617 0.457 5.076 43 HE22 GLN 6 HE22 GLN 6 10.985 1.510 5.008 44 H LEU 7 H LEU 7 10.621 -3.707 -0.308 45 HA LEU 7 HA LEU 7 10.166 -5.925 1.343 46 HB2 LEU 7 HB2 LEU 7 9.024 -5.693 -0.754 47 HB3 LEU 7 HB3 LEU 7 10.548 -5.729 -1.638 48 HG LEU 7 HG LEU 7 10.784 -8.115 -0.658 49 HD11 LEU 7 HD11 LEU 7 7.815 -7.675 -0.381 50 HD12 LEU 7 HD12 LEU 7 8.954 -7.981 0.930 51 HD13 LEU 7 HD13 LEU 7 8.637 -9.232 -0.272 52 HD21 LEU 7 HD21 LEU 7 10.348 -8.713 -2.753 53 HD22 LEU 7 HD22 LEU 7 9.760 -7.074 -3.034 54 HD23 LEU 7 HD23 LEU 7 8.633 -8.347 -2.563 55 H ASN 8 H ASN 8 12.799 -5.326 -0.983 56 HA ASN 8 HA ASN 8 14.231 -7.676 -0.497 57 HB2 ASN 8 HB2 ASN 8 14.932 -4.986 -1.601 58 HB3 ASN 8 HB3 ASN 8 16.230 -6.120 -1.238 59 HD21 ASN 8 HD21 ASN 8 16.811 -6.409 -3.359 60 HD22 ASN 8 HD22 ASN 8 15.826 -7.261 -4.495 61 H SER 9 H SER 9 14.641 -4.440 0.926 62 HA SER 9 HA SER 9 16.777 -5.047 2.616 63 HB2 SER 9 HB2 SER 9 14.587 -2.984 2.752 64 HB3 SER 9 HB3 SER 9 15.806 -3.106 4.021 65 HG SER 9 HG SER 9 16.897 -1.861 2.715 66 H LEU 10 H LEU 10 13.286 -5.270 3.174 67 HA LEU 10 HA LEU 10 13.437 -6.031 5.886 68 HB2 LEU 10 HB2 LEU 10 11.423 -5.222 4.491 69 HB3 LEU 10 HB3 LEU 10 11.251 -6.917 4.038 70 HG LEU 10 HG LEU 10 11.246 -7.283 6.640 71 HD11 LEU 10 HD11 LEU 10 11.142 -5.474 7.912 72 HD12 LEU 10 HD12 LEU 10 9.719 -4.909 7.038 73 HD13 LEU 10 HD13 LEU 10 11.332 -4.467 6.477 74 HD21 LEU 10 HD21 LEU 10 8.789 -6.081 5.403 75 HD22 LEU 10 HD22 LEU 10 8.909 -7.401 6.568 76 HD23 LEU 10 HD23 LEU 10 9.415 -7.650 4.896 77 H ALA 11 H ALA 11 13.526 -7.859 2.886 78 HA ALA 11 HA ALA 11 13.231 -10.433 4.016 79 HB1 ALA 11 HB1 ALA 11 13.960 -9.312 1.413 80 HB2 ALA 11 HB2 ALA 11 14.708 -10.871 1.765 81 HB3 ALA 11 HB3 ALA 11 12.953 -10.705 1.810 82 H ILE 12 H ILE 12 16.156 -8.696 2.940 83 HA ILE 12 HA ILE 12 17.997 -10.619 3.828 84 HB ILE 12 HB ILE 12 18.666 -8.896 2.265 85 HG12 ILE 12 HG12 ILE 12 20.782 -8.184 3.328 86 HG13 ILE 12 HG13 ILE 12 20.138 -8.650 4.899 87 HG21 ILE 12 HG21 ILE 12 17.233 -7.102 3.181 88 HG22 ILE 12 HG22 ILE 12 18.358 -6.926 4.526 89 HG23 ILE 12 HG23 ILE 12 18.889 -6.574 2.882 90 HD11 ILE 12 HD11 ILE 12 20.319 -10.894 4.453 91 HD12 ILE 12 HD12 ILE 12 20.261 -10.662 2.706 92 HD13 ILE 12 HD13 ILE 12 21.721 -10.246 3.603 93 H THR 13 H THR 13 16.552 -7.839 5.447 94 HA THR 13 HA THR 13 18.161 -7.853 7.753 95 HB THR 13 HB THR 13 15.294 -6.947 7.435 96 HG1 THR 13 HG1 THR 13 17.731 -5.465 7.418 97 HG21 THR 13 HG21 THR 13 17.192 -6.861 9.719 98 HG22 THR 13 HG22 THR 13 15.433 -6.992 9.713 99 HG23 THR 13 HG23 THR 13 16.202 -5.431 9.427 100 H PHE 14 H PHE 14 14.945 -9.285 7.191 101 HA PHE 14 HA PHE 14 14.697 -10.498 9.708 102 HB2 PHE 14 HB2 PHE 14 13.036 -10.193 7.602 103 HB3 PHE 14 HB3 PHE 14 13.468 -11.887 7.398 104 HD1 PHE 14 HD1 PHE 14 11.861 -13.296 8.210 105 HD2 PHE 14 HD2 PHE 14 12.702 -9.701 10.328 106 HE1 PHE 14 HE1 PHE 14 10.210 -13.923 9.923 107 HE2 PHE 14 HE2 PHE 14 11.053 -10.323 12.045 108 HZ PHE 14 HZ PHE 14 9.805 -12.436 11.844 109 H GLY 15 H GLY 15 16.121 -11.639 6.688 110 HA2 GLY 15 HA2 GLY 15 16.512 -14.324 7.427 111 HA3 GLY 15 HA3 GLY 15 17.443 -13.455 6.216 112 H ILE 16 H ILE 16 18.869 -11.646 7.481 113 HA ILE 16 HA ILE 16 20.934 -13.077 8.703 114 HB ILE 16 HB ILE 16 20.359 -10.116 8.854 115 HG12 ILE 16 HG12 ILE 16 20.633 -11.015 6.560 116 HG13 ILE 16 HG13 ILE 16 21.933 -9.917 7.010 117 HG21 ILE 16 HG21 ILE 16 23.091 -10.495 9.039 118 HG22 ILE 16 HG22 ILE 16 22.002 -10.064 10.357 119 HG23 ILE 16 HG23 ILE 16 22.418 -11.754 10.074 120 HD11 ILE 16 HD11 ILE 16 22.747 -11.875 5.798 121 HD12 ILE 16 HD12 ILE 16 23.400 -11.798 7.435 122 HD13 ILE 16 HD13 ILE 16 22.094 -12.921 7.058 123 H VAL 17 H VAL 17 18.532 -10.895 10.173 124 HA VAL 17 HA VAL 17 19.353 -11.159 12.823 125 HB VAL 17 HB VAL 17 16.554 -10.712 11.777 126 HG11 VAL 17 HG11 VAL 17 16.812 -9.443 14.224 127 HG12 VAL 17 HG12 VAL 17 15.926 -10.935 13.904 128 HG13 VAL 17 HG13 VAL 17 17.597 -11.003 14.467 129 HG21 VAL 17 HG21 VAL 17 17.120 -8.598 11.353 130 HG22 VAL 17 HG22 VAL 17 17.937 -8.428 12.906 131 HG23 VAL 17 HG23 VAL 17 18.800 -9.106 11.525 132 H MET 18 H MET 18 17.239 -13.187 10.871 133 HA MET 18 HA MET 18 16.338 -14.824 13.017 134 HB2 MET 18 HB2 MET 18 16.255 -14.988 10.035 135 HB3 MET 18 HB3 MET 18 15.897 -16.433 10.972 136 HG2 MET 18 HG2 MET 18 14.128 -15.213 12.153 137 HG3 MET 18 HG3 MET 18 14.474 -13.790 11.174 138 HE1 MET 18 HE1 MET 18 13.300 -17.847 10.087 139 HE2 MET 18 HE2 MET 18 13.151 -17.076 11.666 140 HE3 MET 18 HE3 MET 18 11.767 -17.122 10.572 141 H MET 19 H MET 19 19.028 -14.990 10.755 142 HA MET 19 HA MET 19 19.838 -17.628 11.408 143 HB2 MET 19 HB2 MET 19 20.549 -16.577 9.336 144 HB3 MET 19 HB3 MET 19 21.398 -15.323 10.230 145 HG2 MET 19 HG2 MET 19 23.082 -16.772 10.910 146 HG3 MET 19 HG3 MET 19 22.112 -18.205 10.579 147 HE1 MET 19 HE1 MET 19 25.029 -16.002 9.051 148 HE2 MET 19 HE2 MET 19 25.067 -17.521 9.946 149 HE3 MET 19 HE3 MET 19 25.459 -17.501 8.226 150 H THR 20 H THR 20 20.747 -14.437 12.621 151 HA THR 20 HA THR 20 22.792 -15.415 14.362 152 HB THR 20 HB THR 20 22.874 -13.113 13.581 153 HG1 THR 20 HG1 THR 20 23.602 -12.379 15.470 154 HG21 THR 20 HG21 THR 20 20.446 -12.716 13.444 155 HG22 THR 20 HG22 THR 20 21.274 -11.440 14.337 156 HG23 THR 20 HG23 THR 20 20.364 -12.677 15.204 157 H LEU 21 H LEU 21 19.374 -14.641 14.711 158 HA LEU 21 HA LEU 21 19.276 -14.834 17.535 159 HB2 LEU 21 HB2 LEU 21 17.201 -15.031 15.375 160 HB3 LEU 21 HB3 LEU 21 16.792 -15.251 17.075 161 HG LEU 21 HG LEU 21 18.126 -12.755 16.059 162 HD11 LEU 21 HD11 LEU 21 15.166 -13.240 16.358 163 HD12 LEU 21 HD12 LEU 21 16.027 -13.098 14.825 164 HD13 LEU 21 HD13 LEU 21 15.945 -11.719 15.921 165 HD21 LEU 21 HD21 LEU 21 17.659 -13.692 18.601 166 HD22 LEU 21 HD22 LEU 21 16.289 -12.619 18.315 167 HD23 LEU 21 HD23 LEU 21 17.937 -12.009 18.155 168 H ILE 22 H ILE 22 18.576 -17.156 14.943 169 HA ILE 22 HA ILE 22 17.874 -19.278 16.707 170 HB ILE 22 HB ILE 22 18.762 -19.405 13.823 171 HG12 ILE 22 HG12 ILE 22 15.940 -19.615 14.849 172 HG13 ILE 22 HG13 ILE 22 16.659 -18.053 14.475 173 HG21 ILE 22 HG21 ILE 22 18.996 -21.584 14.484 174 HG22 ILE 22 HG22 ILE 22 17.767 -21.450 15.741 175 HG23 ILE 22 HG23 ILE 22 17.288 -21.572 14.048 176 HD11 ILE 22 HD11 ILE 22 16.226 -18.324 12.327 177 HD12 ILE 22 HD12 ILE 22 17.087 -19.863 12.301 178 HD13 ILE 22 HD13 ILE 22 15.376 -19.817 12.727 179 H ASP 23 H ASP 23 20.840 -18.363 15.015 180 HA ASP 23 HA ASP 23 22.367 -20.626 15.650 181 HB2 ASP 23 HB2 ASP 23 23.176 -19.123 13.975 182 HB3 ASP 23 HB3 ASP 23 23.165 -17.767 15.099 183 H ILE 24 H ILE 24 22.194 -17.473 17.299 184 HA ILE 24 HA ILE 24 23.897 -18.195 19.434 185 HB ILE 24 HB ILE 24 21.769 -16.057 19.293 186 HG12 ILE 24 HG12 ILE 24 23.641 -15.846 17.673 187 HG13 ILE 24 HG13 ILE 24 23.612 -14.541 18.854 188 HG21 ILE 24 HG21 ILE 24 23.328 -15.099 21.171 189 HG22 ILE 24 HG22 ILE 24 22.046 -16.245 21.563 190 HG23 ILE 24 HG23 ILE 24 23.714 -16.801 21.424 191 HD11 ILE 24 HD11 ILE 24 25.650 -15.039 19.568 192 HD12 ILE 24 HD12 ILE 24 25.256 -16.751 19.732 193 HD13 ILE 24 HD13 ILE 24 25.777 -16.111 18.174 194 H TYR 25 H TYR 25 20.347 -18.014 19.221 195 HA TYR 25 HA TYR 25 19.764 -18.833 21.817 196 HB2 TYR 25 HB2 TYR 25 18.144 -17.914 20.115 197 HB3 TYR 25 HB3 TYR 25 18.120 -19.510 19.373 198 HD1 TYR 25 HD1 TYR 25 17.451 -17.747 22.581 199 HD2 TYR 25 HD2 TYR 25 16.653 -21.152 20.158 200 HE1 TYR 25 HE1 TYR 25 15.686 -18.440 24.147 201 HE2 TYR 25 HE2 TYR 25 14.885 -21.854 21.716 202 HH TYR 25 HH TYR 25 13.384 -20.095 23.709 203 H HIS 26 H HIS 26 20.316 -20.754 18.897 204 HA HIS 26 HA HIS 26 19.701 -23.266 20.018 205 HB2 HIS 26 HB2 HIS 26 19.793 -23.050 17.632 206 HB3 HIS 26 HB3 HIS 26 21.461 -22.485 17.690 207 HD1 HIS 26 HD1 HIS 26 20.128 -25.531 19.492 208 HD2 HIS 26 HD2 HIS 26 22.650 -24.551 16.340 209 HE1 HIS 26 HE1 HIS 26 21.228 -27.689 18.815 210 H ALA 27 H ALA 27 22.851 -21.689 19.477 211 HA ALA 27 HA ALA 27 24.437 -23.660 20.662 212 HB1 ALA 27 HB1 ALA 27 26.156 -21.929 20.852 213 HB2 ALA 27 HB2 ALA 27 25.361 -21.883 19.277 214 HB3 ALA 27 HB3 ALA 27 24.946 -20.692 20.509 215 H VAL 28 H VAL 28 23.160 -20.653 22.088 216 HA VAL 28 HA VAL 28 24.164 -21.044 24.670 217 HB VAL 28 HB VAL 28 21.652 -19.581 23.845 218 HG11 VAL 28 HG11 VAL 28 23.157 -19.743 26.425 219 HG12 VAL 28 HG12 VAL 28 22.271 -18.277 26.000 220 HG13 VAL 28 HG13 VAL 28 21.419 -19.815 26.137 221 HG21 VAL 28 HG21 VAL 28 22.940 -17.658 23.574 222 HG22 VAL 28 HG22 VAL 28 24.308 -18.332 24.461 223 HG23 VAL 28 HG23 VAL 28 23.930 -18.920 22.842 224 H ASP 29 H ASP 29 21.226 -22.200 23.127 225 HA ASP 29 HA ASP 29 20.040 -23.208 25.524 226 HB2 ASP 29 HB2 ASP 29 18.620 -22.654 23.647 227 HB3 ASP 29 HB3 ASP 29 19.481 -23.788 22.609 228 H SER 30 H SER 30 22.152 -24.509 23.046 229 HA SER 30 HA SER 30 21.911 -27.233 23.869 230 HB2 SER 30 HB2 SER 30 22.607 -26.697 21.597 231 HB3 SER 30 HB3 SER 30 24.028 -25.848 22.205 232 HG SER 30 HG SER 30 24.799 -27.816 21.750 233 H THR 31 H THR 31 24.087 -24.582 24.634 234 HA THR 31 HA THR 31 25.898 -26.213 26.157 235 HB THR 31 HB THR 31 26.696 -24.166 25.067 236 HG1 THR 31 HG1 THR 31 26.822 -23.851 27.893 237 HG21 THR 31 HG21 THR 31 26.067 -21.972 25.862 238 HG22 THR 31 HG22 THR 31 25.008 -22.680 27.082 239 HG23 THR 31 HG23 THR 31 24.616 -22.845 25.371 240 H MET 32 H MET 32 23.144 -24.137 26.843 241 HA MET 32 HA MET 32 23.490 -24.270 29.695 242 HB2 MET 32 HB2 MET 32 21.667 -22.848 29.851 243 HB3 MET 32 HB3 MET 32 22.321 -22.425 28.275 244 HG2 MET 32 HG2 MET 32 20.658 -23.954 27.242 245 HG3 MET 32 HG3 MET 32 19.953 -24.190 28.840 246 HE1 MET 32 HE1 MET 32 18.320 -23.047 29.780 247 HE2 MET 32 HE2 MET 32 19.083 -21.537 30.276 248 HE3 MET 32 HE3 MET 32 17.596 -21.504 29.327 249 H SER 33 H SER 33 21.677 -26.002 27.257 250 HA SER 33 HA SER 33 20.924 -27.977 29.281 251 HB2 SER 33 HB2 SER 33 18.635 -28.111 28.499 252 HB3 SER 33 HB3 SER 33 18.980 -26.442 28.953 253 HG SER 33 HG SER 33 18.622 -27.563 26.407 254 HA PRO 34 HA PRO 34 22.672 -29.755 25.333 255 HB2 PRO 34 HB2 PRO 34 24.583 -31.248 26.554 256 HB3 PRO 34 HB3 PRO 34 24.840 -29.567 26.072 257 HG2 PRO 34 HG2 PRO 34 24.157 -30.682 28.765 258 HG3 PRO 34 HG3 PRO 34 25.325 -29.416 28.341 259 HD2 PRO 34 HD2 PRO 34 22.866 -28.858 29.328 260 HD3 PRO 34 HD3 PRO 34 23.697 -27.794 28.175 261 H LYS 35 H LYS 35 21.395 -31.339 24.627 262 HA LYS 35 HA LYS 35 20.501 -33.418 26.482 263 HB2 LYS 35 HB2 LYS 35 18.971 -32.045 24.870 264 HB3 LYS 35 HB3 LYS 35 19.554 -33.167 23.648 265 HG2 LYS 35 HG2 LYS 35 18.546 -34.998 24.669 266 HG3 LYS 35 HG3 LYS 35 18.374 -34.161 26.214 267 HD2 LYS 35 HD2 LYS 35 16.550 -32.932 25.491 268 HD3 LYS 35 HD3 LYS 35 16.971 -33.118 23.787 269 HE2 LYS 35 HE2 LYS 35 16.161 -35.309 23.708 270 HE3 LYS 35 HE3 LYS 35 16.188 -35.479 25.463 271 HZ1 LYS 35 HZ1 LYS 35 13.936 -35.201 24.533 272 HZ2 LYS 35 HZ2 LYS 35 14.365 -33.658 23.987 273 HZ3 LYS 35 HZ3 LYS 35 14.339 -33.991 25.645 274 H ASN 36 H ASN 36 21.773 -33.181 23.158 275 HA ASN 36 HA ASN 36 22.938 -34.655 21.870 276 HB2 ASN 36 HB2 ASN 36 24.083 -35.148 24.612 277 HB3 ASN 36 HB3 ASN 36 24.685 -36.009 23.199 278 HD21 ASN 36 HD21 ASN 36 26.706 -35.082 23.314 279 HD22 ASN 36 HD22 ASN 36 26.995 -33.424 22.925 280 H ARG 37 H ARG 37 20.491 -35.578 22.078 281 HA ARG 37 HA ARG 37 20.746 -38.426 22.787 282 HB2 ARG 37 HB2 ARG 37 19.015 -37.051 24.023 283 HB3 ARG 37 HB3 ARG 37 18.168 -36.886 22.491 284 HG2 ARG 37 HG2 ARG 37 18.873 -39.616 23.433 285 HG3 ARG 37 HG3 ARG 37 17.537 -38.766 24.211 286 HD2 ARG 37 HD2 ARG 37 16.815 -38.310 21.723 287 HD3 ARG 37 HD3 ARG 37 17.802 -39.736 21.406 288 HE ARG 37 HE ARG 37 15.981 -40.199 23.536 289 HH11 ARG 37 HH11 ARG 37 16.187 -39.955 20.070 290 HH12 ARG 37 HH12 ARG 37 14.827 -40.991 19.785 291 HH21 ARG 37 HH21 ARG 37 14.190 -41.565 23.175 292 HH22 ARG 37 HH22 ARG 37 13.692 -41.905 21.553 293 H LEU 38 H LEU 38 18.942 -36.322 20.536 294 HA LEU 38 HA LEU 38 18.263 -38.281 18.686 295 HB2 LEU 38 HB2 LEU 38 18.566 -35.329 18.604 296 HB3 LEU 38 HB3 LEU 38 18.441 -36.182 17.068 297 HG LEU 38 HG LEU 38 16.270 -37.073 17.720 298 HD11 LEU 38 HD11 LEU 38 15.228 -36.001 19.809 299 HD12 LEU 38 HD12 LEU 38 16.891 -35.693 20.306 300 HD13 LEU 38 HD13 LEU 38 16.346 -37.347 20.030 301 HD21 LEU 38 HD21 LEU 38 15.159 -34.707 18.105 302 HD22 LEU 38 HD22 LEU 38 15.895 -35.143 16.562 303 HD23 LEU 38 HD23 LEU 38 16.785 -34.146 17.714 304 H GLU 39 H GLU 39 19.184 -39.026 16.786 305 HA GLU 39 HA GLU 39 22.082 -38.948 16.727 306 HB2 GLU 39 HB2 GLU 39 20.084 -40.478 15.052 307 HB3 GLU 39 HB3 GLU 39 21.829 -40.643 14.918 308 HG2 GLU 39 HG2 GLU 39 21.953 -41.453 17.200 309 HG3 GLU 39 HG3 GLU 39 20.214 -41.234 17.388
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